2-{4-[(3-chlorophenyl)methyl]-1,4-diazepan-1-yl}-6-[(piperidin-1-yl)methyl]pyrimidin-4(3H)-one
Chemical Structure Depiction of
2-{4-[(3-chlorophenyl)methyl]-1,4-diazepan-1-yl}-6-[(piperidin-1-yl)methyl]pyrimidin-4(3H)-one
2-{4-[(3-chlorophenyl)methyl]-1,4-diazepan-1-yl}-6-[(piperidin-1-yl)methyl]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | V020-9587 |
| Compound Name: | 2-{4-[(3-chlorophenyl)methyl]-1,4-diazepan-1-yl}-6-[(piperidin-1-yl)methyl]pyrimidin-4(3H)-one |
| Molecular Weight: | 415.97 |
| Molecular Formula: | C22 H30 Cl N5 O |
| Smiles: | C1CCN(CC1)CC1=CC(NC(=N1)N1CCCN(CC1)Cc1cccc(c1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 2.7749 |
| logD: | -0.9102 |
| logSw: | -3.5364 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.967 |
| InChI Key: | XJKIEQNSTFKUHV-UHFFFAOYSA-N |