4-[2-(diethylcarbamoyl)-4-(2-methoxyacetamido)phenyl]-N-[3-(trifluoromethyl)phenyl]-1,4-diazepane-1-carboxamide
Chemical Structure Depiction of
4-[2-(diethylcarbamoyl)-4-(2-methoxyacetamido)phenyl]-N-[3-(trifluoromethyl)phenyl]-1,4-diazepane-1-carboxamide
4-[2-(diethylcarbamoyl)-4-(2-methoxyacetamido)phenyl]-N-[3-(trifluoromethyl)phenyl]-1,4-diazepane-1-carboxamide
Compound characteristics
| Compound ID: | V005-3752 |
| Compound Name: | 4-[2-(diethylcarbamoyl)-4-(2-methoxyacetamido)phenyl]-N-[3-(trifluoromethyl)phenyl]-1,4-diazepane-1-carboxamide |
| Molecular Weight: | 549.59 |
| Molecular Formula: | C27 H34 F3 N5 O4 |
| Smiles: | CCN(CC)C(c1cc(ccc1N1CCCN(CC1)C(Nc1cccc(c1)C(F)(F)F)=O)NC(COC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8228 |
| logD: | 3.8188 |
| logSw: | -4.0412 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.503 |
| InChI Key: | QSCUAYKOWYRGIA-UHFFFAOYSA-N |