(4-{2-(butan-2-yl)-6-methyl-5-[(4-nitrophenyl)methyl]pyrimidin-4-yl}piperazin-1-yl)(2-chlorophenyl)methanone
Chemical Structure Depiction of
(4-{2-(butan-2-yl)-6-methyl-5-[(4-nitrophenyl)methyl]pyrimidin-4-yl}piperazin-1-yl)(2-chlorophenyl)methanone
(4-{2-(butan-2-yl)-6-methyl-5-[(4-nitrophenyl)methyl]pyrimidin-4-yl}piperazin-1-yl)(2-chlorophenyl)methanone
Compound characteristics
| Compound ID: | V029-4904 |
| Compound Name: | (4-{2-(butan-2-yl)-6-methyl-5-[(4-nitrophenyl)methyl]pyrimidin-4-yl}piperazin-1-yl)(2-chlorophenyl)methanone |
| Molecular Weight: | 508.02 |
| Molecular Formula: | C27 H30 Cl N5 O3 |
| Salt: | not_available |
| Smiles: | CCC(C)c1nc(C)c(Cc2ccc(cc2)[N+]([O-])=O)c(n1)N1CCN(CC1)C(c1ccccc1[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.979 |
| logD: | 5.8116 |
| logSw: | -5.9414 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 72.338 |
| InChI Key: | OXCBDIFWRVUIBM-SFHVURJKSA-N |