4-(4-[(cyclobutanecarbonyl)amino]-2-{[(4-fluorophenyl)methyl]carbamoyl}phenyl)-N-[3-(trifluoromethyl)phenyl]-1,4-diazepane-1-carboxamide
Chemical Structure Depiction of
4-(4-[(cyclobutanecarbonyl)amino]-2-{[(4-fluorophenyl)methyl]carbamoyl}phenyl)-N-[3-(trifluoromethyl)phenyl]-1,4-diazepane-1-carboxamide
4-(4-[(cyclobutanecarbonyl)amino]-2-{[(4-fluorophenyl)methyl]carbamoyl}phenyl)-N-[3-(trifluoromethyl)phenyl]-1,4-diazepane-1-carboxamide
Compound characteristics
| Compound ID: | V024-9492 |
| Compound Name: | 4-(4-[(cyclobutanecarbonyl)amino]-2-{[(4-fluorophenyl)methyl]carbamoyl}phenyl)-N-[3-(trifluoromethyl)phenyl]-1,4-diazepane-1-carboxamide |
| Molecular Weight: | 611.64 |
| Molecular Formula: | C32 H33 F4 N5 O3 |
| Smiles: | C1CC(C1)C(Nc1ccc(c(c1)C(NCc1ccc(cc1)F)=O)N1CCCN(CC1)C(Nc1cccc(c1)C(F)(F)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1842 |
| logD: | 5.1823 |
| logSw: | -5.3615 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 77.026 |
| InChI Key: | UPVIUORIZHYVJY-UHFFFAOYSA-N |