4-tert-butyl-N-[6-(4-{[2-(trifluoromethyl)phenyl]methyl}-1,4-diazepan-1-yl)pyridin-3-yl]benzamide
Chemical Structure Depiction of
4-tert-butyl-N-[6-(4-{[2-(trifluoromethyl)phenyl]methyl}-1,4-diazepan-1-yl)pyridin-3-yl]benzamide
4-tert-butyl-N-[6-(4-{[2-(trifluoromethyl)phenyl]methyl}-1,4-diazepan-1-yl)pyridin-3-yl]benzamide
Compound characteristics
| Compound ID: | V029-5807 |
| Compound Name: | 4-tert-butyl-N-[6-(4-{[2-(trifluoromethyl)phenyl]methyl}-1,4-diazepan-1-yl)pyridin-3-yl]benzamide |
| Molecular Weight: | 510.6 |
| Molecular Formula: | C29 H33 F3 N4 O |
| Salt: | not_available |
| Smiles: | CC(C)(C)c1ccc(cc1)C(Nc1ccc(nc1)N1CCCN(CC1)Cc1ccccc1C(F)(F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 7.1997 |
| logD: | 7.1766 |
| logSw: | -5.4896 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.255 |
| InChI Key: | IXQVZDUIGNXCBA-UHFFFAOYSA-N |