methyl 4-[(4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)amino]benzoate
Chemical Structure Depiction of
methyl 4-[(4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)amino]benzoate
methyl 4-[(4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)amino]benzoate
Compound characteristics
Compound ID: | E975-1632 |
Compound Name: | methyl 4-[(4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)amino]benzoate |
Molecular Weight: | 392.45 |
Molecular Formula: | C17 H16 N2 O5 S2 |
Smiles: | COC(c1ccc(cc1)NS(c1ccc2c(c1)NC(CCS2)=O)(=O)=O)=O |
Stereo: | ACHIRAL |
logP: | 2.5573 |
logD: | 1.9731 |
logSw: | -3.0746 |
Hydrogen bond acceptors count: | 10 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 87.214 |
InChI Key: | YXHNVYCFCBXEGW-UHFFFAOYSA-N |