1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-(1,3-dihydroisoindol-2-ylmethyl)-5-[(1-methylsulfonylpiperidin-4-yl)methoxy]pyran-4-one

2.1.2 InChI

InChI=1S/C21H26N2O5S/c1-29(25,26)23-8-6-16(7-9-23)14-28-21-15-27-19(10-20(21)24)13-22-11-17-4-2-3-5-18(17)12-22/h2-5,10,15-16H,6-9,11-14H2,1H3

2.1.3 InChI Key

LHVKCOBGLZGRQZ-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CS(=O)(=O)N1CCC(CC1)COC2=COC(=CC2=O)CN3CC4=CC=CC=C4C3

2.2 Other Identifiers

2.2.1 UNII

1Z7MAV4KQC

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 2231294-96-3

2. Odm-208

3. Odm208

4. 2-(isoindolin-2-ylmethyl)-5-[[1-(methylsulfonyl)-4-piperidyl]methoxy]-4h-pyran-4-one

5. 2-(isoindolin-2-ylmethyl)-5-((1-(methylsulfonyl)piperidin-4-yl)methoxy)-4h-pyran-4-one

6. Opevesostat [inn]

7. 1z7mav4kqc

8. Chembl5314533

9. Schembl20300108

10. Glxc-26017

11. Sy347258

12. Hy-156628

13. Cs-0886557

14. G61380

15. 2-[(1,3-dihydro-2h-isoindol-2-yl)methyl]-5-[[1-(methylsulfonyl)-4-piperidinyl]methoxy]-4h-pyran-4-one

16. 4h-pyran-4-one, 2-[(1,3-dihydro-2h-isoindol-2-yl)methyl]-5-[[1-(methylsulfonyl)-4-piperidinyl]methoxy]-

2.4 Create Date

2018-12-15

3 Chemical and Physical Properties

Molecular Formula	C₂₁H₂₆N₂O₅S
Molecular Weight	418.5 g/mol
XLogP3	1.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	6
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	84.5
Heavy Atom Count	29
Formal Charge	0
Complexity	763
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

Opevesostat