2-[4-(cyclopropanecarbonyl)-1,4-diazepan-1-yl]-N,N-diethyl-5-[4-(trifluoromethyl)benzamido]benzamide
Chemical Structure Depiction of
2-[4-(cyclopropanecarbonyl)-1,4-diazepan-1-yl]-N,N-diethyl-5-[4-(trifluoromethyl)benzamido]benzamide
2-[4-(cyclopropanecarbonyl)-1,4-diazepan-1-yl]-N,N-diethyl-5-[4-(trifluoromethyl)benzamido]benzamide
Compound characteristics
| Compound ID: | V005-4161 |
| Compound Name: | 2-[4-(cyclopropanecarbonyl)-1,4-diazepan-1-yl]-N,N-diethyl-5-[4-(trifluoromethyl)benzamido]benzamide |
| Molecular Weight: | 530.59 |
| Molecular Formula: | C28 H33 F3 N4 O3 |
| Salt: | not_available |
| Smiles: | CCN(CC)C(c1cc(ccc1N1CCCN(CC1)C(C1CC1)=O)NC(c1ccc(cc1)C(F)(F)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4027 |
| logD: | 4.4022 |
| logSw: | -4.2579 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.724 |
| InChI Key: | QOBGMDTXGKGRQK-UHFFFAOYSA-N |