ethyl 3-(4-methylphenyl)-3-[(4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)amino]propanoate
Chemical Structure Depiction of
ethyl 3-(4-methylphenyl)-3-[(4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)amino]propanoate
ethyl 3-(4-methylphenyl)-3-[(4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)amino]propanoate
Compound characteristics
| Compound ID: | G115-0120 |
| Compound Name: | ethyl 3-(4-methylphenyl)-3-[(4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)amino]propanoate |
| Molecular Weight: | 448.56 |
| Molecular Formula: | C21 H24 N2 O5 S2 |
| Smiles: | CCOC(CC(c1ccc(C)cc1)NS(c1ccc2c(c1)NC(CCS2)=O)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.4939 |
| logD: | 3.4932 |
| logSw: | -3.6909 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 87.151 |
| InChI Key: | LAPRKORWUFXHIZ-KRWDZBQOSA-N |