4-[2-(diethylcarbamoyl)-4-(3-methylbutanamido)phenyl]-N-[3-(trifluoromethyl)phenyl]-1,4-diazepane-1-carboxamide
Chemical Structure Depiction of
4-[2-(diethylcarbamoyl)-4-(3-methylbutanamido)phenyl]-N-[3-(trifluoromethyl)phenyl]-1,4-diazepane-1-carboxamide
4-[2-(diethylcarbamoyl)-4-(3-methylbutanamido)phenyl]-N-[3-(trifluoromethyl)phenyl]-1,4-diazepane-1-carboxamide
Compound characteristics
| Compound ID: | V005-3835 |
| Compound Name: | 4-[2-(diethylcarbamoyl)-4-(3-methylbutanamido)phenyl]-N-[3-(trifluoromethyl)phenyl]-1,4-diazepane-1-carboxamide |
| Molecular Weight: | 561.65 |
| Molecular Formula: | C29 H38 F3 N5 O3 |
| Salt: | not_available |
| Smiles: | CCN(CC)C(c1cc(ccc1N1CCCN(CC1)C(Nc1cccc(c1)C(F)(F)F)=O)NC(CC(C)C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2914 |
| logD: | 5.2874 |
| logSw: | -5.3751 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.079 |
| InChI Key: | ZALKGPQOZGGVIY-UHFFFAOYSA-N |