4-{2-(butan-2-yl)-6-ethyl-5-[(4-nitrophenyl)methyl]pyrimidin-4-yl}-N-ethylpiperazine-1-carboxamide
Chemical Structure Depiction of
4-{2-(butan-2-yl)-6-ethyl-5-[(4-nitrophenyl)methyl]pyrimidin-4-yl}-N-ethylpiperazine-1-carboxamide
4-{2-(butan-2-yl)-6-ethyl-5-[(4-nitrophenyl)methyl]pyrimidin-4-yl}-N-ethylpiperazine-1-carboxamide
Compound characteristics
| Compound ID: | V027-7771 |
| Compound Name: | 4-{2-(butan-2-yl)-6-ethyl-5-[(4-nitrophenyl)methyl]pyrimidin-4-yl}-N-ethylpiperazine-1-carboxamide |
| Molecular Weight: | 454.57 |
| Molecular Formula: | C24 H34 N6 O3 |
| Smiles: | CCC(C)c1nc(CC)c(Cc2ccc(cc2)[N+]([O-])=O)c(n1)N1CCN(CC1)C(NCC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.0862 |
| logD: | 4.8837 |
| logSw: | -4.8105 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.067 |
| InChI Key: | GYOFJVXGLDVXIK-KRWDZBQOSA-N |