2-[4-(2,2-dimethylpropanoyl)-1,4-diazepan-1-yl]-6-[(4-phenylpiperazin-1-yl)methyl]pyrimidin-4(3H)-one
Chemical Structure Depiction of
2-[4-(2,2-dimethylpropanoyl)-1,4-diazepan-1-yl]-6-[(4-phenylpiperazin-1-yl)methyl]pyrimidin-4(3H)-one
2-[4-(2,2-dimethylpropanoyl)-1,4-diazepan-1-yl]-6-[(4-phenylpiperazin-1-yl)methyl]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | V023-6003 |
| Compound Name: | 2-[4-(2,2-dimethylpropanoyl)-1,4-diazepan-1-yl]-6-[(4-phenylpiperazin-1-yl)methyl]pyrimidin-4(3H)-one |
| Molecular Weight: | 452.6 |
| Molecular Formula: | C25 H36 N6 O2 |
| Salt: | not_available |
| Smiles: | CC(C)(C)C(N1CCCN(CC1)C1NC(C=C(CN2CCN(CC2)c2ccccc2)N=1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2672 |
| logD: | 0.7657 |
| logSw: | -2.7988 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.414 |
| InChI Key: | HBHQPERCALMSLI-UHFFFAOYSA-N |