2-cyclopropyl-4-[4-(ethanesulfonyl)piperazin-1-yl]-6-methyl-5-[(4-nitrophenyl)methyl]pyrimidine
Chemical Structure Depiction of
2-cyclopropyl-4-[4-(ethanesulfonyl)piperazin-1-yl]-6-methyl-5-[(4-nitrophenyl)methyl]pyrimidine
2-cyclopropyl-4-[4-(ethanesulfonyl)piperazin-1-yl]-6-methyl-5-[(4-nitrophenyl)methyl]pyrimidine
Compound characteristics
| Compound ID: | V005-4477 |
| Compound Name: | 2-cyclopropyl-4-[4-(ethanesulfonyl)piperazin-1-yl]-6-methyl-5-[(4-nitrophenyl)methyl]pyrimidine |
| Molecular Weight: | 445.54 |
| Molecular Formula: | C21 H27 N5 O4 S |
| Salt: | not_available |
| Smiles: | CCS(N1CCN(CC1)c1c(Cc2ccc(cc2)[N+]([O-])=O)c(C)nc(C2CC2)n1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8371 |
| logD: | 2.8434 |
| logSw: | -4.0621 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 87.818 |
| InChI Key: | AUJFUSUWJQQTMZ-UHFFFAOYSA-N |