6-[(4-cyclohexylpiperazin-1-yl)methyl]-2-{4-[(2,3-dimethoxyphenyl)methyl]-1,4-diazepan-1-yl}pyrimidin-4(3H)-one
Chemical Structure Depiction of
6-[(4-cyclohexylpiperazin-1-yl)methyl]-2-{4-[(2,3-dimethoxyphenyl)methyl]-1,4-diazepan-1-yl}pyrimidin-4(3H)-one
6-[(4-cyclohexylpiperazin-1-yl)methyl]-2-{4-[(2,3-dimethoxyphenyl)methyl]-1,4-diazepan-1-yl}pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | V027-8986 |
| Compound Name: | 6-[(4-cyclohexylpiperazin-1-yl)methyl]-2-{4-[(2,3-dimethoxyphenyl)methyl]-1,4-diazepan-1-yl}pyrimidin-4(3H)-one |
| Molecular Weight: | 524.71 |
| Molecular Formula: | C29 H44 N6 O3 |
| Salt: | not_available |
| Smiles: | COc1cccc(CN2CCCN(CC2)C2NC(C=C(CN3CCN(CC3)C3CCCCC3)N=2)=O)c1OC |
| Stereo: | ACHIRAL |
| logP: | 2.7906 |
| logD: | -0.1861 |
| logSw: | -3.2404 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.408 |
| InChI Key: | LLMRGIHEDMVXJV-UHFFFAOYSA-N |