1-(4-{2-cyclopropyl-6-methyl-5-[(4-nitrophenyl)methyl]pyrimidin-4-yl}piperazin-1-yl)-2-methoxyethan-1-one
Chemical Structure Depiction of
1-(4-{2-cyclopropyl-6-methyl-5-[(4-nitrophenyl)methyl]pyrimidin-4-yl}piperazin-1-yl)-2-methoxyethan-1-one
1-(4-{2-cyclopropyl-6-methyl-5-[(4-nitrophenyl)methyl]pyrimidin-4-yl}piperazin-1-yl)-2-methoxyethan-1-one
Compound characteristics
| Compound ID: | V005-4453 |
| Compound Name: | 1-(4-{2-cyclopropyl-6-methyl-5-[(4-nitrophenyl)methyl]pyrimidin-4-yl}piperazin-1-yl)-2-methoxyethan-1-one |
| Molecular Weight: | 425.49 |
| Molecular Formula: | C22 H27 N5 O4 |
| Salt: | not_available |
| Smiles: | Cc1c(Cc2ccc(cc2)[N+]([O-])=O)c(nc(C2CC2)n1)N1CCN(CC1)C(COC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.096 |
| logD: | 2.1022 |
| logSw: | -3.2553 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 80.758 |
| InChI Key: | DQBFKWBVPDYKDH-UHFFFAOYSA-N |