ethyl 4-[N-ethyl-N-(4-methylbenzene-1-sulfonyl)alanyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
Chemical Structure Depiction of
ethyl 4-[N-ethyl-N-(4-methylbenzene-1-sulfonyl)alanyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
ethyl 4-[N-ethyl-N-(4-methylbenzene-1-sulfonyl)alanyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
Compound characteristics
| Compound ID: | V006-2499 |
| Compound Name: | ethyl 4-[N-ethyl-N-(4-methylbenzene-1-sulfonyl)alanyl]-3,5-dimethyl-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)OCC)[nH]c1C)=O)S(c1ccc(C)cc1)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7037 |
| logD: | 3.7037 |
| logSw: | -4.1011 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.215 |
| InChI Key: | XBAOGTJUWFMYHC-INIZCTEOSA-N |