methyl 4-[N-(3-ethoxypropyl)-N-(4-methylbenzene-1-sulfonyl)alanyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
Chemical Structure Depiction of
methyl 4-[N-(3-ethoxypropyl)-N-(4-methylbenzene-1-sulfonyl)alanyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
methyl 4-[N-(3-ethoxypropyl)-N-(4-methylbenzene-1-sulfonyl)alanyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
Compound characteristics
| Compound ID: | V004-9734 |
| Compound Name: | methyl 4-[N-(3-ethoxypropyl)-N-(4-methylbenzene-1-sulfonyl)alanyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate |
| Molecular Weight: | 464.58 |
| Molecular Formula: | C23 H32 N2 O6 S |
| Smiles: | CCOCCCN(C(C)C(c1c(C)c(C(=O)OC)[nH]c1C)=O)S(c1ccc(C)cc1)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.5438 |
| logD: | 3.5438 |
| logSw: | -3.8949 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.866 |
| InChI Key: | MSYIWORVPIEAMI-SFHVURJKSA-N |