6-[(4-benzylpiperazin-1-yl)methyl]-2-(4-{[3-(trifluoromethyl)phenyl]methyl}-1,4-diazepan-1-yl)pyrimidin-4(3H)-one
Chemical Structure Depiction of
6-[(4-benzylpiperazin-1-yl)methyl]-2-(4-{[3-(trifluoromethyl)phenyl]methyl}-1,4-diazepan-1-yl)pyrimidin-4(3H)-one
6-[(4-benzylpiperazin-1-yl)methyl]-2-(4-{[3-(trifluoromethyl)phenyl]methyl}-1,4-diazepan-1-yl)pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | V021-3369 |
| Compound Name: | 6-[(4-benzylpiperazin-1-yl)methyl]-2-(4-{[3-(trifluoromethyl)phenyl]methyl}-1,4-diazepan-1-yl)pyrimidin-4(3H)-one |
| Molecular Weight: | 540.63 |
| Molecular Formula: | C29 H35 F3 N6 O |
| Smiles: | C1CN(CCN(C1)C1NC(C=C(CN2CCN(CC2)Cc2ccccc2)N=1)=O)Cc1cccc(c1)C(F)(F)F |
| Stereo: | ACHIRAL |
| logP: | 3.1809 |
| logD: | 1.3936 |
| logSw: | -3.3506 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.507 |
| InChI Key: | RXYNXXAHLXMQBB-UHFFFAOYSA-N |