methyl 4-[N-(benzenesulfonyl)-N-ethylalanyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
Chemical Structure Depiction of
methyl 4-[N-(benzenesulfonyl)-N-ethylalanyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
methyl 4-[N-(benzenesulfonyl)-N-ethylalanyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
Compound characteristics
| Compound ID: | V026-1631 |
| Compound Name: | methyl 4-[N-(benzenesulfonyl)-N-ethylalanyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate |
| Molecular Weight: | 392.47 |
| Molecular Formula: | C19 H24 N2 O5 S |
| Salt: | not_available |
| Smiles: | CCN(C(C)C(c1c(C)c(C(=O)OC)[nH]c1C)=O)S(c1ccccc1)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.7367 |
| logD: | 2.7367 |
| logSw: | -3.2346 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.635 |
| InChI Key: | XCYILUQFUSOYPR-AWEZNQCLSA-N |