methyl 4-[N-ethyl-N-(4-methylbenzene-1-sulfonyl)alanyl]-1,3,5-trimethyl-1H-pyrrole-2-carboxylate
Chemical Structure Depiction of
methyl 4-[N-ethyl-N-(4-methylbenzene-1-sulfonyl)alanyl]-1,3,5-trimethyl-1H-pyrrole-2-carboxylate
methyl 4-[N-ethyl-N-(4-methylbenzene-1-sulfonyl)alanyl]-1,3,5-trimethyl-1H-pyrrole-2-carboxylate
Compound characteristics
| Compound ID: | V006-3045 |
| Compound Name: | methyl 4-[N-ethyl-N-(4-methylbenzene-1-sulfonyl)alanyl]-1,3,5-trimethyl-1H-pyrrole-2-carboxylate |
| Molecular Weight: | 420.53 |
| Molecular Formula: | C21 H28 N2 O5 S |
| Smiles: | CCN(C(C)C(c1c(C)c(C(=O)OC)n(C)c1C)=O)S(c1ccc(C)cc1)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.171 |
| logD: | 3.171 |
| logSw: | -3.4447 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 68.462 |
| InChI Key: | SSLWDUWLKRAAIL-INIZCTEOSA-N |