2-cyclopropyl-4-methyl-5-[(4-nitrophenyl)methyl]-6-[4-(propane-1-sulfonyl)piperazin-1-yl]pyrimidine
Chemical Structure Depiction of
2-cyclopropyl-4-methyl-5-[(4-nitrophenyl)methyl]-6-[4-(propane-1-sulfonyl)piperazin-1-yl]pyrimidine
2-cyclopropyl-4-methyl-5-[(4-nitrophenyl)methyl]-6-[4-(propane-1-sulfonyl)piperazin-1-yl]pyrimidine
Compound characteristics
| Compound ID: | V005-4489 |
| Compound Name: | 2-cyclopropyl-4-methyl-5-[(4-nitrophenyl)methyl]-6-[4-(propane-1-sulfonyl)piperazin-1-yl]pyrimidine |
| Molecular Weight: | 459.57 |
| Molecular Formula: | C22 H29 N5 O4 S |
| Salt: | not_available |
| Smiles: | CCCS(N1CCN(CC1)c1c(Cc2ccc(cc2)[N+]([O-])=O)c(C)nc(C2CC2)n1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1834 |
| logD: | 3.1897 |
| logSw: | -4.2158 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 87.818 |
| InChI Key: | ZCAOSNLZGMIKOI-UHFFFAOYSA-N |