methyl 4-{N-(2-chlorobenzoyl)-N-[(4-fluorophenyl)methyl]alanyl}-3,5-dimethyl-1H-pyrrole-2-carboxylate
Chemical Structure Depiction of
methyl 4-{N-(2-chlorobenzoyl)-N-[(4-fluorophenyl)methyl]alanyl}-3,5-dimethyl-1H-pyrrole-2-carboxylate
methyl 4-{N-(2-chlorobenzoyl)-N-[(4-fluorophenyl)methyl]alanyl}-3,5-dimethyl-1H-pyrrole-2-carboxylate
Compound characteristics
| Compound ID: | V005-4199 |
| Compound Name: | methyl 4-{N-(2-chlorobenzoyl)-N-[(4-fluorophenyl)methyl]alanyl}-3,5-dimethyl-1H-pyrrole-2-carboxylate |
| Molecular Weight: | 470.93 |
| Molecular Formula: | C25 H24 Cl F N2 O4 |
| Smiles: | CC(C(c1c(C)c(C(=O)OC)[nH]c1C)=O)N(Cc1ccc(cc1)F)C(c1ccccc1[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3195 |
| logD: | 4.3195 |
| logSw: | -4.7739 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.436 |
| InChI Key: | FRSLWUUANYOHCJ-INIZCTEOSA-N |