Compound C21H23NO5S

N-[(7S)-2-hydroxy-1,3-dimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide

CAS: 87424-26-8

Molecular Formula	`C21H23NO5S`
Molecular Weight	401.5 g/mol
LogP	1.0
Topological Polar Surface Area	110.0 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	6
Rotatable Bonds	4
Exact Mass	401.1297
Heavy Atoms	28
Complexity	728.0

Chemical Identifiers

CAS Number	87424-26-8
SMILES	`CC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)SC)OC)O)OC`
InChIKey	`OMQLBXIHBJAOIO-HNNXBMFYSA-N`

📖 Product Overview

Compound C21H23NO5S (CAS: 87424-26-8) is a chemical compound with molecular formula C21H23NO5S and molecular weight 401.5 g/mol. Its IUPAC systematic name is N-[(7S)-2-hydroxy-1,3-dimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide. LogP 1.0 Topological Polar Surface Area 110.0 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 6 Rotatable Bonds 4 Exact Mass 401.1297 Heavy Atoms 28 Complexity 728.0 InChI Key: OMQLBXIHBJAOIO-HNNXBMFYSA-N. SMILES: CC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)SC)OC)O)OC.

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