N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Chemical Structure Depiction of
N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Compound characteristics
| Compound ID: | G008-1645 |
| Compound Name: | N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide |
| Molecular Weight: | 436.55 |
| Molecular Formula: | C20 H24 N2 O5 S2 |
| Smiles: | CCOc1ccc(CNS(c2ccc3c(c2)NC(CC(C)S3)=O)(=O)=O)cc1OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.7959 |
| logD: | 2.7955 |
| logSw: | -3.4026 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.989 |
| InChI Key: | HNCHWGMIYAOAPD-CYBMUJFWSA-N |