ethyl 4-[N-(benzenesulfonyl)-N-(2-methylpropyl)alanyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
Chemical Structure Depiction of
ethyl 4-[N-(benzenesulfonyl)-N-(2-methylpropyl)alanyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
ethyl 4-[N-(benzenesulfonyl)-N-(2-methylpropyl)alanyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
Compound characteristics
| Compound ID: | V025-7589 |
| Compound Name: | ethyl 4-[N-(benzenesulfonyl)-N-(2-methylpropyl)alanyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate |
| Molecular Weight: | 434.55 |
| Molecular Formula: | C22 H30 N2 O5 S |
| Smiles: | CCOC(c1c(C)c(C(C(C)N(CC(C)C)S(c2ccccc2)(=O)=O)=O)c(C)[nH]1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0307 |
| logD: | 4.0307 |
| logSw: | -4.0946 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.49 |
| InChI Key: | BTYPTTZYXWRESX-KRWDZBQOSA-N |