2-{4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl}-6-{[4-(2-phenylethyl)piperazin-1-yl]methyl}pyrimidin-4(3H)-one
Chemical Structure Depiction of
2-{4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl}-6-{[4-(2-phenylethyl)piperazin-1-yl]methyl}pyrimidin-4(3H)-one
2-{4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl}-6-{[4-(2-phenylethyl)piperazin-1-yl]methyl}pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | V021-3410 |
| Compound Name: | 2-{4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl}-6-{[4-(2-phenylethyl)piperazin-1-yl]methyl}pyrimidin-4(3H)-one |
| Molecular Weight: | 516.69 |
| Molecular Formula: | C30 H40 N6 O2 |
| Salt: | not_available |
| Smiles: | COc1ccc(CN2CCCN(CC2)C2NC(C=C(CN3CCN(CCc4ccccc4)CC3)N=2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.6629 |
| logD: | 0.9818 |
| logSw: | -3.0606 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.029 |
| InChI Key: | PGNZVRFXUNOXIE-UHFFFAOYSA-N |