methyl 4-[N-cyclopropyl-N-(4-methylbenzene-1-sulfonyl)alanyl]-1-ethyl-3,5-dimethyl-1H-pyrrole-2-carboxylate
Chemical Structure Depiction of
methyl 4-[N-cyclopropyl-N-(4-methylbenzene-1-sulfonyl)alanyl]-1-ethyl-3,5-dimethyl-1H-pyrrole-2-carboxylate
methyl 4-[N-cyclopropyl-N-(4-methylbenzene-1-sulfonyl)alanyl]-1-ethyl-3,5-dimethyl-1H-pyrrole-2-carboxylate
Compound characteristics
| Compound ID: | V005-7919 |
| Compound Name: | methyl 4-[N-cyclopropyl-N-(4-methylbenzene-1-sulfonyl)alanyl]-1-ethyl-3,5-dimethyl-1H-pyrrole-2-carboxylate |
| Molecular Weight: | 446.56 |
| Molecular Formula: | C23 H30 N2 O5 S |
| Smiles: | CCn1c(C)c(C(C(C)N(C2CC2)S(c2ccc(C)cc2)(=O)=O)=O)c(C)c1C(=O)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1748 |
| logD: | 4.1748 |
| logSw: | -4.2811 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 68.102 |
| InChI Key: | WGSYTMMZGVLEHG-KRWDZBQOSA-N |