methyl 4-[N-cyclohexyl-N-(4-methylbenzene-1-sulfonyl)glycyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
Chemical Structure Depiction of
methyl 4-[N-cyclohexyl-N-(4-methylbenzene-1-sulfonyl)glycyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
methyl 4-[N-cyclohexyl-N-(4-methylbenzene-1-sulfonyl)glycyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
Compound characteristics
| Compound ID: | V005-1992 |
| Compound Name: | methyl 4-[N-cyclohexyl-N-(4-methylbenzene-1-sulfonyl)glycyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate |
| Molecular Weight: | 446.56 |
| Molecular Formula: | C23 H30 N2 O5 S |
| Smiles: | Cc1ccc(cc1)S(N(CC(c1c(C)c(C(=O)OC)[nH]c1C)=O)C1CCCCC1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4223 |
| logD: | 4.4223 |
| logSw: | -4.3651 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.028 |
| InChI Key: | ZVOJCLAGUSPNBH-UHFFFAOYSA-N |