methyl 4-{N-(benzenesulfonyl)-N-[(furan-2-yl)methyl]alanyl}-3,5-dimethyl-1H-pyrrole-2-carboxylate
Chemical Structure Depiction of
methyl 4-{N-(benzenesulfonyl)-N-[(furan-2-yl)methyl]alanyl}-3,5-dimethyl-1H-pyrrole-2-carboxylate
methyl 4-{N-(benzenesulfonyl)-N-[(furan-2-yl)methyl]alanyl}-3,5-dimethyl-1H-pyrrole-2-carboxylate
Compound characteristics
| Compound ID: | V005-4720 |
| Compound Name: | methyl 4-{N-(benzenesulfonyl)-N-[(furan-2-yl)methyl]alanyl}-3,5-dimethyl-1H-pyrrole-2-carboxylate |
| Molecular Weight: | 444.51 |
| Molecular Formula: | C22 H24 N2 O6 S |
| Smiles: | CC(C(c1c(C)c(C(=O)OC)[nH]c1C)=O)N(Cc1ccco1)S(c1ccccc1)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3344 |
| logD: | 3.3344 |
| logSw: | -3.8464 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.387 |
| InChI Key: | DFJKVLQZYNKQRO-INIZCTEOSA-N |