methyl 3,5-dimethyl-4-[N-(4-methylbenzene-1-sulfonyl)-N-(2-methylpropyl)alanyl]-1H-pyrrole-2-carboxylate
Chemical Structure Depiction of
methyl 3,5-dimethyl-4-[N-(4-methylbenzene-1-sulfonyl)-N-(2-methylpropyl)alanyl]-1H-pyrrole-2-carboxylate
methyl 3,5-dimethyl-4-[N-(4-methylbenzene-1-sulfonyl)-N-(2-methylpropyl)alanyl]-1H-pyrrole-2-carboxylate
Compound characteristics
| Compound ID: | V025-1014 |
| Compound Name: | methyl 3,5-dimethyl-4-[N-(4-methylbenzene-1-sulfonyl)-N-(2-methylpropyl)alanyl]-1H-pyrrole-2-carboxylate |
| Molecular Weight: | 434.55 |
| Molecular Formula: | C22 H30 N2 O5 S |
| Smiles: | CC(C)CN(C(C)C(c1c(C)c(C(=O)OC)[nH]c1C)=O)S(c1ccc(C)cc1)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.2805 |
| logD: | 4.2805 |
| logSw: | -4.3552 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.91 |
| InChI Key: | OWJCBTLCGMYAPW-KRWDZBQOSA-N |