methyl 4-[N-cyclopropyl-N-(4-methylbenzene-1-sulfonyl)glycyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
Chemical Structure Depiction of
methyl 4-[N-cyclopropyl-N-(4-methylbenzene-1-sulfonyl)glycyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
methyl 4-[N-cyclopropyl-N-(4-methylbenzene-1-sulfonyl)glycyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
Compound characteristics
| Compound ID: | V004-8567 |
| Compound Name: | methyl 4-[N-cyclopropyl-N-(4-methylbenzene-1-sulfonyl)glycyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate |
| Molecular Weight: | 404.48 |
| Molecular Formula: | C20 H24 N2 O5 S |
| Smiles: | Cc1ccc(cc1)S(N(CC(c1c(C)c(C(=O)OC)[nH]c1C)=O)C1CC1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2964 |
| logD: | 3.2964 |
| logSw: | -3.7953 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.359 |
| InChI Key: | ZMWWLKVCMLSOSS-UHFFFAOYSA-N |