4-[4-(methanesulfonyl)piperazin-1-yl]-6-methyl-5-[(2-nitrophenyl)methyl]-2-phenylpyrimidine
Chemical Structure Depiction of
4-[4-(methanesulfonyl)piperazin-1-yl]-6-methyl-5-[(2-nitrophenyl)methyl]-2-phenylpyrimidine
4-[4-(methanesulfonyl)piperazin-1-yl]-6-methyl-5-[(2-nitrophenyl)methyl]-2-phenylpyrimidine
Compound characteristics
| Compound ID: | V004-9844 |
| Compound Name: | 4-[4-(methanesulfonyl)piperazin-1-yl]-6-methyl-5-[(2-nitrophenyl)methyl]-2-phenylpyrimidine |
| Molecular Weight: | 467.55 |
| Molecular Formula: | C23 H25 N5 O4 S |
| Salt: | not_available |
| Smiles: | Cc1c(Cc2ccccc2[N+]([O-])=O)c(nc(c2ccccc2)n1)N1CCN(CC1)S(C)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8278 |
| logD: | 4.7527 |
| logSw: | -4.7315 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 86.592 |
| InChI Key: | RFMOFOXBBBTEAC-UHFFFAOYSA-N |