N-ethyl-N-(3-methylphenyl)-3-(4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)propanamide
Chemical Structure Depiction of
N-ethyl-N-(3-methylphenyl)-3-(4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)propanamide
N-ethyl-N-(3-methylphenyl)-3-(4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)propanamide
Compound characteristics
| Compound ID: | L705-0093 |
| Compound Name: | N-ethyl-N-(3-methylphenyl)-3-(4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)propanamide |
| Molecular Weight: | 432.56 |
| Molecular Formula: | C21 H24 N2 O4 S2 |
| Smiles: | CCN(C(CCS(c1ccc2c(c1)NC(CCS2)=O)(=O)=O)=O)c1cccc(C)c1 |
| Stereo: | ACHIRAL |
| logP: | 2.8985 |
| logD: | 2.8984 |
| logSw: | -3.3779 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.246 |
| InChI Key: | GPYKQDCXAFWOKO-UHFFFAOYSA-N |