4-[2-(diethylcarbamoyl)-4-(ethylcarbamamido)phenyl]-N-[3-(trifluoromethyl)phenyl]-1,4-diazepane-1-carboxamide
Chemical Structure Depiction of
4-[2-(diethylcarbamoyl)-4-(ethylcarbamamido)phenyl]-N-[3-(trifluoromethyl)phenyl]-1,4-diazepane-1-carboxamide
4-[2-(diethylcarbamoyl)-4-(ethylcarbamamido)phenyl]-N-[3-(trifluoromethyl)phenyl]-1,4-diazepane-1-carboxamide
Compound characteristics
| Compound ID: | V005-3764 |
| Compound Name: | 4-[2-(diethylcarbamoyl)-4-(ethylcarbamamido)phenyl]-N-[3-(trifluoromethyl)phenyl]-1,4-diazepane-1-carboxamide |
| Molecular Weight: | 548.61 |
| Molecular Formula: | C27 H35 F3 N6 O3 |
| Salt: | not_available |
| Smiles: | CCNC(Nc1ccc(c(c1)C(N(CC)CC)=O)N1CCCN(CC1)C(Nc1cccc(c1)C(F)(F)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4656 |
| logD: | 4.4616 |
| logSw: | -4.2713 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 78.452 |
| InChI Key: | KPHUQJMDLGRYTJ-UHFFFAOYSA-N |