methyl 4-[N-(benzenesulfonyl)-N-(3-ethoxypropyl)alanyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
Chemical Structure Depiction of
methyl 4-[N-(benzenesulfonyl)-N-(3-ethoxypropyl)alanyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
methyl 4-[N-(benzenesulfonyl)-N-(3-ethoxypropyl)alanyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
Compound characteristics
| Compound ID: | V004-9722 |
| Compound Name: | methyl 4-[N-(benzenesulfonyl)-N-(3-ethoxypropyl)alanyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate |
| Molecular Weight: | 450.55 |
| Molecular Formula: | C22 H30 N2 O6 S |
| Smiles: | CCOCCCN(C(C)C(c1c(C)c(C(=O)OC)[nH]c1C)=O)S(c1ccccc1)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.9353 |
| logD: | 2.9353 |
| logSw: | -3.3844 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.866 |
| InChI Key: | KHMDHEXCWGXEPG-KRWDZBQOSA-N |