2-{4-[(3-methoxyphenyl)methyl]-1,4-diazepan-1-yl}-6-[(4-phenylpiperazin-1-yl)methyl]pyrimidin-4(3H)-one
Chemical Structure Depiction of
2-{4-[(3-methoxyphenyl)methyl]-1,4-diazepan-1-yl}-6-[(4-phenylpiperazin-1-yl)methyl]pyrimidin-4(3H)-one
2-{4-[(3-methoxyphenyl)methyl]-1,4-diazepan-1-yl}-6-[(4-phenylpiperazin-1-yl)methyl]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | V019-1718 |
| Compound Name: | 2-{4-[(3-methoxyphenyl)methyl]-1,4-diazepan-1-yl}-6-[(4-phenylpiperazin-1-yl)methyl]pyrimidin-4(3H)-one |
| Molecular Weight: | 488.63 |
| Molecular Formula: | C28 H36 N6 O2 |
| Salt: | not_available |
| Smiles: | COc1cccc(CN2CCCN(CC2)C2NC(C=C(CN3CCN(CC3)c3ccccc3)N=2)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 2.7984 |
| logD: | -0.1536 |
| logSw: | -3.335 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.771 |
| InChI Key: | HMTSWWDBBBZPBO-UHFFFAOYSA-N |