methyl 4-{N-(4-chlorobenzoyl)-N-[(4-fluorophenyl)methyl]glycyl}-3,5-dimethyl-1H-pyrrole-2-carboxylate
Chemical Structure Depiction of
methyl 4-{N-(4-chlorobenzoyl)-N-[(4-fluorophenyl)methyl]glycyl}-3,5-dimethyl-1H-pyrrole-2-carboxylate
methyl 4-{N-(4-chlorobenzoyl)-N-[(4-fluorophenyl)methyl]glycyl}-3,5-dimethyl-1H-pyrrole-2-carboxylate
Compound characteristics
| Compound ID: | V005-4946 |
| Compound Name: | methyl 4-{N-(4-chlorobenzoyl)-N-[(4-fluorophenyl)methyl]glycyl}-3,5-dimethyl-1H-pyrrole-2-carboxylate |
| Molecular Weight: | 456.9 |
| Molecular Formula: | C24 H22 Cl F N2 O4 |
| Smiles: | Cc1c(C(CN(Cc2ccc(cc2)F)C(c2ccc(cc2)[Cl])=O)=O)c(C)[nH]c1C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 3.9664 |
| logD: | 3.9664 |
| logSw: | -4.8602 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.58 |
| InChI Key: | NFVLJBAQTVTCHQ-UHFFFAOYSA-N |