4-{2-cyclopropyl-6-methyl-5-[(4-nitrophenyl)methyl]pyrimidin-4-yl}-N-ethylpiperazine-1-carboxamide
Chemical Structure Depiction of
4-{2-cyclopropyl-6-methyl-5-[(4-nitrophenyl)methyl]pyrimidin-4-yl}-N-ethylpiperazine-1-carboxamide
4-{2-cyclopropyl-6-methyl-5-[(4-nitrophenyl)methyl]pyrimidin-4-yl}-N-ethylpiperazine-1-carboxamide
Compound characteristics
| Compound ID: | V027-8599 |
| Compound Name: | 4-{2-cyclopropyl-6-methyl-5-[(4-nitrophenyl)methyl]pyrimidin-4-yl}-N-ethylpiperazine-1-carboxamide |
| Molecular Weight: | 424.5 |
| Molecular Formula: | C22 H28 N6 O3 |
| Salt: | not_available |
| Smiles: | CCNC(N1CCN(CC1)c1c(Cc2ccc(cc2)[N+]([O-])=O)c(C)nc(C2CC2)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9175 |
| logD: | 2.9238 |
| logSw: | -4.0826 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.63 |
| InChI Key: | BPBUUOJWUGLIHX-UHFFFAOYSA-N |