methyl 4-[N-ethyl-N-(4-methylbenzene-1-sulfonyl)alanyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
Chemical Structure Depiction of
methyl 4-[N-ethyl-N-(4-methylbenzene-1-sulfonyl)alanyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
methyl 4-[N-ethyl-N-(4-methylbenzene-1-sulfonyl)alanyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
Compound characteristics
| Compound ID: | V005-8062 |
| Compound Name: | methyl 4-[N-ethyl-N-(4-methylbenzene-1-sulfonyl)alanyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate |
| Molecular Weight: | 406.5 |
| Molecular Formula: | C20 H26 N2 O5 S |
| Smiles: | CCN(C(C)C(c1c(C)c(C(=O)OC)[nH]c1C)=O)S(c1ccc(C)cc1)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3451 |
| logD: | 3.3451 |
| logSw: | -3.7931 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.635 |
| InChI Key: | BKULODCUQGXONV-HNNXBMFYSA-N |