(4-{2,6-dimethyl-5-[(4-nitrophenyl)methyl]pyrimidin-4-yl}piperazin-1-yl)(3-nitrophenyl)methanone
Chemical Structure Depiction of
(4-{2,6-dimethyl-5-[(4-nitrophenyl)methyl]pyrimidin-4-yl}piperazin-1-yl)(3-nitrophenyl)methanone
(4-{2,6-dimethyl-5-[(4-nitrophenyl)methyl]pyrimidin-4-yl}piperazin-1-yl)(3-nitrophenyl)methanone
Compound characteristics
| Compound ID: | V011-0053 |
| Compound Name: | (4-{2,6-dimethyl-5-[(4-nitrophenyl)methyl]pyrimidin-4-yl}piperazin-1-yl)(3-nitrophenyl)methanone |
| Molecular Weight: | 476.49 |
| Molecular Formula: | C24 H24 N6 O5 |
| Salt: | not_available |
| Smiles: | Cc1c(Cc2ccc(cc2)[N+]([O-])=O)c(nc(C)n1)N1CCN(CC1)C(c1cccc(c1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8812 |
| logD: | 3.7922 |
| logSw: | -4.1202 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 105.332 |
| InChI Key: | SGIRHVFAOVEZOR-UHFFFAOYSA-N |