6-[(4-cyclohexylpiperazin-1-yl)methyl]-2-(4-{[3-(trifluoromethyl)phenyl]methyl}-1,4-diazepan-1-yl)pyrimidin-4(3H)-one
Chemical Structure Depiction of
6-[(4-cyclohexylpiperazin-1-yl)methyl]-2-(4-{[3-(trifluoromethyl)phenyl]methyl}-1,4-diazepan-1-yl)pyrimidin-4(3H)-one
6-[(4-cyclohexylpiperazin-1-yl)methyl]-2-(4-{[3-(trifluoromethyl)phenyl]methyl}-1,4-diazepan-1-yl)pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | V020-8377 |
| Compound Name: | 6-[(4-cyclohexylpiperazin-1-yl)methyl]-2-(4-{[3-(trifluoromethyl)phenyl]methyl}-1,4-diazepan-1-yl)pyrimidin-4(3H)-one |
| Molecular Weight: | 532.65 |
| Molecular Formula: | C28 H39 F3 N6 O |
| Salt: | not_available |
| Smiles: | C1CCC(CC1)N1CCN(CC1)CC1=CC(NC(=N1)N1CCCN(CC1)Cc1cccc(c1)C(F)(F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5217 |
| logD: | 2.115 |
| logSw: | -3.7312 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.06 |
| InChI Key: | NFIGTSYXPWZDLU-UHFFFAOYSA-N |