N-[(3-methoxyphenyl)methyl]-3-(4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)propanamide
Chemical Structure Depiction of
N-[(3-methoxyphenyl)methyl]-3-(4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)propanamide
N-[(3-methoxyphenyl)methyl]-3-(4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)propanamide
Compound characteristics
| Compound ID: | L705-0136 |
| Compound Name: | N-[(3-methoxyphenyl)methyl]-3-(4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)propanamide |
| Molecular Weight: | 434.53 |
| Molecular Formula: | C20 H22 N2 O5 S2 |
| Smiles: | COc1cccc(CNC(CCS(c2ccc3c(c2)NC(CCS3)=O)(=O)=O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 1.591 |
| logD: | 1.5909 |
| logSw: | -2.318 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.17 |
| InChI Key: | KWMZJXDODLRTIQ-UHFFFAOYSA-N |