4-[2-{[(4-fluorophenyl)methyl]carbamoyl}-4-(2-methoxyacetamido)phenyl]-N-[3-(trifluoromethyl)phenyl]-1,4-diazepane-1-carboxamide
Chemical Structure Depiction of
4-[2-{[(4-fluorophenyl)methyl]carbamoyl}-4-(2-methoxyacetamido)phenyl]-N-[3-(trifluoromethyl)phenyl]-1,4-diazepane-1-carboxamide
4-[2-{[(4-fluorophenyl)methyl]carbamoyl}-4-(2-methoxyacetamido)phenyl]-N-[3-(trifluoromethyl)phenyl]-1,4-diazepane-1-carboxamide
Compound characteristics
| Compound ID: | V024-9458 |
| Compound Name: | 4-[2-{[(4-fluorophenyl)methyl]carbamoyl}-4-(2-methoxyacetamido)phenyl]-N-[3-(trifluoromethyl)phenyl]-1,4-diazepane-1-carboxamide |
| Molecular Weight: | 601.6 |
| Molecular Formula: | C30 H31 F4 N5 O4 |
| Salt: | not_available |
| Smiles: | COCC(Nc1ccc(c(c1)C(NCc1ccc(cc1)F)=O)N1CCCN(CC1)C(Nc1cccc(c1)C(F)(F)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8808 |
| logD: | 4.8788 |
| logSw: | -4.682 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 84.984 |
| InChI Key: | PUIWLGNXLZNJSE-UHFFFAOYSA-N |