6-({4-[(4-methylphenyl)methyl]piperazin-1-yl}methyl)-2-[4-(3-nitrobenzoyl)piperazin-1-yl]pyrimidin-4(3H)-one
Chemical Structure Depiction of
6-({4-[(4-methylphenyl)methyl]piperazin-1-yl}methyl)-2-[4-(3-nitrobenzoyl)piperazin-1-yl]pyrimidin-4(3H)-one
6-({4-[(4-methylphenyl)methyl]piperazin-1-yl}methyl)-2-[4-(3-nitrobenzoyl)piperazin-1-yl]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | V001-3027 |
| Compound Name: | 6-({4-[(4-methylphenyl)methyl]piperazin-1-yl}methyl)-2-[4-(3-nitrobenzoyl)piperazin-1-yl]pyrimidin-4(3H)-one |
| Molecular Weight: | 531.61 |
| Molecular Formula: | C28 H33 N7 O4 |
| Salt: | not_available |
| Smiles: | Cc1ccc(CN2CCN(CC2)CC2=CC(NC(=N2)N2CCN(CC2)C(c2cccc(c2)[N+]([O-])=O)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 1.9101 |
| logD: | 0.1228 |
| logSw: | -2.6816 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 95.474 |
| InChI Key: | IBCMYGOJUOTATG-UHFFFAOYSA-N |