1-(4-{6-methyl-2-(2-methylpropyl)-5-[(4-nitrophenyl)methyl]pyrimidin-4-yl}piperazin-1-yl)ethan-1-one
Chemical Structure Depiction of
1-(4-{6-methyl-2-(2-methylpropyl)-5-[(4-nitrophenyl)methyl]pyrimidin-4-yl}piperazin-1-yl)ethan-1-one
1-(4-{6-methyl-2-(2-methylpropyl)-5-[(4-nitrophenyl)methyl]pyrimidin-4-yl}piperazin-1-yl)ethan-1-one
Compound characteristics
Compound ID: | V027-2325 |
Compound Name: | 1-(4-{6-methyl-2-(2-methylpropyl)-5-[(4-nitrophenyl)methyl]pyrimidin-4-yl}piperazin-1-yl)ethan-1-one |
Molecular Weight: | 411.5 |
Molecular Formula: | C22 H29 N5 O3 |
Salt: | not_available |
Smiles: | CC(C)Cc1nc(C)c(Cc2ccc(cc2)[N+]([O-])=O)c(n1)N1CCN(CC1)C(C)=O |
Stereo: | ACHIRAL |
logP: | 4.3289 |
logD: | 4.1582 |
logSw: | -4.3531 |
Hydrogen bond acceptors count: | 8 |
Polar surface area: | 74.068 |
InChI Key: | UOVKRKIPTKRDOH-UHFFFAOYSA-N |