methyl 4-[N-cyclohexyl-N-(3-fluorobenzoyl)alanyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
Chemical Structure Depiction of
methyl 4-[N-cyclohexyl-N-(3-fluorobenzoyl)alanyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
methyl 4-[N-cyclohexyl-N-(3-fluorobenzoyl)alanyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
Compound characteristics
| Compound ID: | V028-1317 |
| Compound Name: | methyl 4-[N-cyclohexyl-N-(3-fluorobenzoyl)alanyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate |
| Molecular Weight: | 428.5 |
| Molecular Formula: | C24 H29 F N2 O4 |
| Salt: | not_available |
| Smiles: | CC(C(c1c(C)c(C(=O)OC)[nH]c1C)=O)N(C1CCCCC1)C(c1cccc(c1)F)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.2542 |
| logD: | 4.2542 |
| logSw: | -4.3957 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.789 |
| InChI Key: | DEUVBFISEZQDSE-INIZCTEOSA-N |