4-[2-(diethylcarbamoyl)-4-(3-fluorobenzamido)phenyl]-N-(3-methylphenyl)-1,4-diazepane-1-carboxamide
Chemical Structure Depiction of
4-[2-(diethylcarbamoyl)-4-(3-fluorobenzamido)phenyl]-N-(3-methylphenyl)-1,4-diazepane-1-carboxamide
4-[2-(diethylcarbamoyl)-4-(3-fluorobenzamido)phenyl]-N-(3-methylphenyl)-1,4-diazepane-1-carboxamide
Compound characteristics
| Compound ID: | V013-0286 |
| Compound Name: | 4-[2-(diethylcarbamoyl)-4-(3-fluorobenzamido)phenyl]-N-(3-methylphenyl)-1,4-diazepane-1-carboxamide |
| Molecular Weight: | 545.66 |
| Molecular Formula: | C31 H36 F N5 O3 |
| Salt: | not_available |
| Smiles: | CCN(CC)C(c1cc(ccc1N1CCCN(CC1)C(Nc1cccc(C)c1)=O)NC(c1cccc(c1)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9327 |
| logD: | 4.9283 |
| logSw: | -4.6224 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.021 |
| InChI Key: | NAPJADWXFRKXMU-UHFFFAOYSA-N |