methyl 4-[N-(benzenesulfonyl)-N-(3-methylbutyl)alanyl]-1,3,5-trimethyl-1H-pyrrole-2-carboxylate
Chemical Structure Depiction of
methyl 4-[N-(benzenesulfonyl)-N-(3-methylbutyl)alanyl]-1,3,5-trimethyl-1H-pyrrole-2-carboxylate
methyl 4-[N-(benzenesulfonyl)-N-(3-methylbutyl)alanyl]-1,3,5-trimethyl-1H-pyrrole-2-carboxylate
Compound characteristics
| Compound ID: | V005-2528 |
| Compound Name: | methyl 4-[N-(benzenesulfonyl)-N-(3-methylbutyl)alanyl]-1,3,5-trimethyl-1H-pyrrole-2-carboxylate |
| Molecular Weight: | 448.58 |
| Molecular Formula: | C23 H32 N2 O5 S |
| Smiles: | CC(C)CCN(C(C)C(c1c(C)c(C(=O)OC)n(C)c1C)=O)S(c1ccccc1)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9028 |
| logD: | 3.9028 |
| logSw: | -4.2168 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 68.715 |
| InChI Key: | OYTHIZGFRHDNBY-SFHVURJKSA-N |