ethyl 1-ethyl-3,5-dimethyl-4-[N-methyl-N-(4-methylbenzene-1-sulfonyl)alanyl]-1H-pyrrole-2-carboxylate
Chemical Structure Depiction of
ethyl 1-ethyl-3,5-dimethyl-4-[N-methyl-N-(4-methylbenzene-1-sulfonyl)alanyl]-1H-pyrrole-2-carboxylate
ethyl 1-ethyl-3,5-dimethyl-4-[N-methyl-N-(4-methylbenzene-1-sulfonyl)alanyl]-1H-pyrrole-2-carboxylate
Compound characteristics
| Compound ID: | V005-5902 |
| Compound Name: | ethyl 1-ethyl-3,5-dimethyl-4-[N-methyl-N-(4-methylbenzene-1-sulfonyl)alanyl]-1H-pyrrole-2-carboxylate |
| Molecular Weight: | 434.55 |
| Molecular Formula: | C22 H30 N2 O5 S |
| Smiles: | CCn1c(C)c(C(C(C)N(C)S(c2ccc(C)cc2)(=O)=O)=O)c(C)c1C(=O)OCC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8278 |
| logD: | 3.8278 |
| logSw: | -4.1647 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 68.227 |
| InChI Key: | MMYLNSBODPABRB-KRWDZBQOSA-N |