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CAS 1383385-64-5 manufacturers and suppliers on PharmaCompass

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CAS 1383385-64-5
Also known as: 1383385-64-5, N-pyridin-2-yl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide, N-pyridin-2-yl-4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-benzamide, Schembl10366689, Amy12401, Mfcd22124426
Molecular Formula
C18H21BN2O3
Molecular Weight
324.2  g/mol
InChI Key
BFQWQKOPPQDARN-UHFFFAOYSA-N

1 2D Structure

CAS 1383385-64-5

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
N-pyridin-2-yl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
2.1.2 InChI
InChI=1S/C18H21BN2O3/c1-17(2)18(3,4)24-19(23-17)14-10-8-13(9-11-14)16(22)21-15-7-5-6-12-20-15/h5-12H,1-4H3,(H,20,21,22)
2.1.3 InChI Key
BFQWQKOPPQDARN-UHFFFAOYSA-N
2.1.4 Canonical SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)C(=O)NC3=CC=CC=N3
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 1383385-64-5

2. N-pyridin-2-yl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide

3. N-pyridin-2-yl-4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-benzamide

4. Schembl10366689

5. Amy12401

6. Mfcd22124426

7. Zb1409

8. Zinc204728403

9. Sb18333

10. Ac-30656

11. Bs-15287

12. Db-109903

13. Cs-0160418

2.3 Create Date
2012-12-01
3 Chemical and Physical Properties
Molecular Weight 324.2 g/mol
Molecular Formula C18H21BN2O3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass324.1645227 g/mol
Monoisotopic Mass324.1645227 g/mol
Topological Polar Surface Area60.4 Ų
Heavy Atom Count24
Formal Charge0
Complexity445
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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