methyl 3,5-dimethyl-4-[N-(4-methylbenzene-1-sulfonyl)-N-(prop-2-en-1-yl)alanyl]-1H-pyrrole-2-carboxylate
Chemical Structure Depiction of
methyl 3,5-dimethyl-4-[N-(4-methylbenzene-1-sulfonyl)-N-(prop-2-en-1-yl)alanyl]-1H-pyrrole-2-carboxylate
methyl 3,5-dimethyl-4-[N-(4-methylbenzene-1-sulfonyl)-N-(prop-2-en-1-yl)alanyl]-1H-pyrrole-2-carboxylate
Compound characteristics
| Compound ID: | V005-8038 |
| Compound Name: | methyl 3,5-dimethyl-4-[N-(4-methylbenzene-1-sulfonyl)-N-(prop-2-en-1-yl)alanyl]-1H-pyrrole-2-carboxylate |
| Molecular Weight: | 418.51 |
| Molecular Formula: | C21 H26 N2 O5 S |
| Smiles: | CC(C(c1c(C)c(C(=O)OC)[nH]c1C)=O)N(CC=C)S(c1ccc(C)cc1)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.5994 |
| logD: | 3.5994 |
| logSw: | -3.9688 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.888 |
| InChI Key: | BDTHHKHZWCJXCI-INIZCTEOSA-N |