2-(butan-2-yl)-4-[4-(ethanesulfonyl)piperazin-1-yl]-6-methyl-5-[(4-nitrophenyl)methyl]pyrimidine
Chemical Structure Depiction of
2-(butan-2-yl)-4-[4-(ethanesulfonyl)piperazin-1-yl]-6-methyl-5-[(4-nitrophenyl)methyl]pyrimidine
2-(butan-2-yl)-4-[4-(ethanesulfonyl)piperazin-1-yl]-6-methyl-5-[(4-nitrophenyl)methyl]pyrimidine
Compound characteristics
| Compound ID: | V029-4976 |
| Compound Name: | 2-(butan-2-yl)-4-[4-(ethanesulfonyl)piperazin-1-yl]-6-methyl-5-[(4-nitrophenyl)methyl]pyrimidine |
| Molecular Weight: | 461.58 |
| Molecular Formula: | C22 H31 N5 O4 S |
| Salt: | not_available |
| Smiles: | CCC(C)c1nc(C)c(Cc2ccc(cc2)[N+]([O-])=O)c(n1)N1CCN(CC1)S(CC)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4715 |
| logD: | 4.3041 |
| logSw: | -4.2826 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 87.567 |
| InChI Key: | AFNIJZOUVQKVNS-INIZCTEOSA-N |