methyl 4-{N-benzoyl-N-[(4-fluorophenyl)methyl]alanyl}-3,5-dimethyl-1H-pyrrole-2-carboxylate
Chemical Structure Depiction of
methyl 4-{N-benzoyl-N-[(4-fluorophenyl)methyl]alanyl}-3,5-dimethyl-1H-pyrrole-2-carboxylate
methyl 4-{N-benzoyl-N-[(4-fluorophenyl)methyl]alanyl}-3,5-dimethyl-1H-pyrrole-2-carboxylate
Compound characteristics
| Compound ID: | V004-1259 |
| Compound Name: | methyl 4-{N-benzoyl-N-[(4-fluorophenyl)methyl]alanyl}-3,5-dimethyl-1H-pyrrole-2-carboxylate |
| Molecular Weight: | 436.48 |
| Molecular Formula: | C25 H25 F N2 O4 |
| Smiles: | CC(C(c1c(C)c(C(=O)OC)[nH]c1C)=O)N(Cc1ccc(cc1)F)C(c1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.887 |
| logD: | 3.887 |
| logSw: | -4.2351 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.436 |
| InChI Key: | YGYNIYOIEZWHME-KRWDZBQOSA-N |