1-(4-{2-cyclopropyl-6-methyl-5-[(4-nitrophenyl)methyl]pyrimidin-4-yl}piperazin-1-yl)ethan-1-one
Chemical Structure Depiction of
1-(4-{2-cyclopropyl-6-methyl-5-[(4-nitrophenyl)methyl]pyrimidin-4-yl}piperazin-1-yl)ethan-1-one
1-(4-{2-cyclopropyl-6-methyl-5-[(4-nitrophenyl)methyl]pyrimidin-4-yl}piperazin-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | V005-4452 |
| Compound Name: | 1-(4-{2-cyclopropyl-6-methyl-5-[(4-nitrophenyl)methyl]pyrimidin-4-yl}piperazin-1-yl)ethan-1-one |
| Molecular Weight: | 395.46 |
| Molecular Formula: | C21 H25 N5 O3 |
| Salt: | not_available |
| Smiles: | CC(N1CCN(CC1)c1c(Cc2ccc(cc2)[N+]([O-])=O)c(C)nc(C2CC2)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7816 |
| logD: | 2.7878 |
| logSw: | -4.087 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 73.329 |
| InChI Key: | KFZYTARJCNIAAC-UHFFFAOYSA-N |