methyl 4-[N-(benzenesulfonyl)-N-methylalanyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
Chemical Structure Depiction of
methyl 4-[N-(benzenesulfonyl)-N-methylalanyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
methyl 4-[N-(benzenesulfonyl)-N-methylalanyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
Compound characteristics
| Compound ID: | V005-9818 |
| Compound Name: | methyl 4-[N-(benzenesulfonyl)-N-methylalanyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate |
| Molecular Weight: | 378.45 |
| Molecular Formula: | C18 H22 N2 O5 S |
| Smiles: | CC(C(c1c(C)c(C(=O)OC)[nH]c1C)=O)N(C)S(c1ccccc1)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.4256 |
| logD: | 2.4256 |
| logSw: | -2.8249 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.906 |
| InChI Key: | VRSVJQCCOWLPRU-ZDUSSCGKSA-N |