N,N-diethyl-2-[4-(2-fluorobenzoyl)-1,4-diazepan-1-yl]-5-[4-(trifluoromethyl)benzamido]benzamide
Chemical Structure Depiction of
N,N-diethyl-2-[4-(2-fluorobenzoyl)-1,4-diazepan-1-yl]-5-[4-(trifluoromethyl)benzamido]benzamide
N,N-diethyl-2-[4-(2-fluorobenzoyl)-1,4-diazepan-1-yl]-5-[4-(trifluoromethyl)benzamido]benzamide
Compound characteristics
| Compound ID: | V012-9810 |
| Compound Name: | N,N-diethyl-2-[4-(2-fluorobenzoyl)-1,4-diazepan-1-yl]-5-[4-(trifluoromethyl)benzamido]benzamide |
| Molecular Weight: | 584.61 |
| Molecular Formula: | C31 H32 F4 N4 O3 |
| Salt: | not_available |
| Smiles: | CCN(CC)C(c1cc(ccc1N1CCCN(CC1)C(c1ccccc1F)=O)NC(c1ccc(cc1)C(F)(F)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.098 |
| logD: | 5.0978 |
| logSw: | -4.8595 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.2 |
| InChI Key: | YNLIZUUCECSMJW-UHFFFAOYSA-N |