Basic information
- CAS
579517-01-4- Standard SMILES
O=C(c1sc2ccccc2c1Cl)N(Cc1cc2cc3c(cc2[nH]c1=O)OCO3)C1CCCCC1- InChIKey
IAERRIXOGGGSFH-UHFFFAOYSA-N- Molecular formula
- C26H23ClN2O4S
- Average molar mass
- 495 g/mol
Names & identifiers
- Preferred name
- 3-chloro-N-cyclohexyl-N-[(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]-1-benzothiophene-2-carboxamide
- IUPAC
- 3-chloro-N-cyclohexyl-N-[(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]-1-benzothiophene-2-carboxamide
- English name
- Benzo[b]thiophene-2-carboxamide, 3-chloro-N-cyclohexyl-N-[(5,6-dihydro-6-oxo-1,3-dioxolo[4,5-g]quinolin-7-yl)methyl]- (9CI)
- Molecular formula
- C26H23ClN2O4S
- Molecular weight
- 494.99
Names & synonyms
579517-01-4Oprea1_771013AKOS000774436DB-274387BENZO[B]THIOPHENE-2-CARBOXAMIDE, 3-CHLORO-N-CYCLOHEXYL-N-[(5,6-DIHYDRO-6-OXO-1,3-DIOXOLO[4,5-G]QUINOLIN-7-YL)METHYL]-Benzo[b]thiophene-2-carboxamide, 3-chloro-N-cyclohexyl-N-[(5,6-dihydro-6-oxo-1,3-dioxolo[4,5-g]quinolin-7-yl)methyl]- (9CI)
Database identifiers
- CAS
579517-01-4
Properties
Computed structural properties
- XLogP
- 5.9
- Topological polar surface area
- 96.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 834
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
0 records
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Compound notes
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