methyl 4-{N-[(4-fluorophenyl)methyl]-N-(thiophene-2-carbonyl)alanyl}-3,5-dimethyl-1H-pyrrole-2-carboxylate
Chemical Structure Depiction of
methyl 4-{N-[(4-fluorophenyl)methyl]-N-(thiophene-2-carbonyl)alanyl}-3,5-dimethyl-1H-pyrrole-2-carboxylate
methyl 4-{N-[(4-fluorophenyl)methyl]-N-(thiophene-2-carbonyl)alanyl}-3,5-dimethyl-1H-pyrrole-2-carboxylate
Compound characteristics
| Compound ID: | V006-2321 |
| Compound Name: | methyl 4-{N-[(4-fluorophenyl)methyl]-N-(thiophene-2-carbonyl)alanyl}-3,5-dimethyl-1H-pyrrole-2-carboxylate |
| Molecular Weight: | 442.51 |
| Molecular Formula: | C23 H23 F N2 O4 S |
| Smiles: | CC(C(c1c(C)c(C(=O)OC)[nH]c1C)=O)N(Cc1ccc(cc1)F)C(c1cccs1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9229 |
| logD: | 3.9229 |
| logSw: | -4.2129 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.454 |
| InChI Key: | LVPFVHOXRRJIIT-HNNXBMFYSA-N |