methyl 4-[N-cyclohexyl-N-(3-fluorobenzoyl)glycyl]-1-ethyl-3,5-dimethyl-1H-pyrrole-2-carboxylate
Chemical Structure Depiction of
methyl 4-[N-cyclohexyl-N-(3-fluorobenzoyl)glycyl]-1-ethyl-3,5-dimethyl-1H-pyrrole-2-carboxylate
methyl 4-[N-cyclohexyl-N-(3-fluorobenzoyl)glycyl]-1-ethyl-3,5-dimethyl-1H-pyrrole-2-carboxylate
Compound characteristics
| Compound ID: | V005-6704 |
| Compound Name: | methyl 4-[N-cyclohexyl-N-(3-fluorobenzoyl)glycyl]-1-ethyl-3,5-dimethyl-1H-pyrrole-2-carboxylate |
| Molecular Weight: | 442.53 |
| Molecular Formula: | C25 H31 F N2 O4 |
| Smiles: | CCn1c(C)c(C(CN(C2CCCCC2)C(c2cccc(c2)F)=O)=O)c(C)c1C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 4.5227 |
| logD: | 4.5227 |
| logSw: | -4.4934 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 50.567 |
| InChI Key: | HPDONVMESQMJFM-UHFFFAOYSA-N |