N-(3-chloro-4-methoxyphenyl)-3-(4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)propanamide
Chemical Structure Depiction of
N-(3-chloro-4-methoxyphenyl)-3-(4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)propanamide
N-(3-chloro-4-methoxyphenyl)-3-(4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)propanamide
Compound characteristics
| Compound ID: | L705-0161 |
| Compound Name: | N-(3-chloro-4-methoxyphenyl)-3-(4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)propanamide |
| Molecular Weight: | 454.95 |
| Molecular Formula: | C19 H19 Cl N2 O5 S2 |
| Smiles: | COc1ccc(cc1[Cl])NC(CCS(c1ccc2c(c1)NC(CCS2)=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.304 |
| logD: | 2.3011 |
| logSw: | -3.1466 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 84.935 |
| InChI Key: | AQOOCXHLUFOAJI-UHFFFAOYSA-N |