methyl 4-[N-(benzenesulfonyl)-N-cyclohexylglycyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
Chemical Structure Depiction of
methyl 4-[N-(benzenesulfonyl)-N-cyclohexylglycyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
methyl 4-[N-(benzenesulfonyl)-N-cyclohexylglycyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
Compound characteristics
| Compound ID: | V016-0159 |
| Compound Name: | methyl 4-[N-(benzenesulfonyl)-N-cyclohexylglycyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate |
| Molecular Weight: | 432.54 |
| Molecular Formula: | C22 H28 N2 O5 S |
| Smiles: | Cc1c(C(CN(C2CCCCC2)S(c2ccccc2)(=O)=O)=O)c(C)[nH]c1C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 3.8139 |
| logD: | 3.8139 |
| logSw: | -4.157 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.028 |
| InChI Key: | ZJIHTMIUVWJOBE-UHFFFAOYSA-N |