4-[4-(ethanesulfonyl)piperazin-1-yl]-6-methyl-5-[(4-nitrophenyl)methyl]-2-(propan-2-yl)pyrimidine
Chemical Structure Depiction of
4-[4-(ethanesulfonyl)piperazin-1-yl]-6-methyl-5-[(4-nitrophenyl)methyl]-2-(propan-2-yl)pyrimidine
4-[4-(ethanesulfonyl)piperazin-1-yl]-6-methyl-5-[(4-nitrophenyl)methyl]-2-(propan-2-yl)pyrimidine
Compound characteristics
| Compound ID: | V005-4502 |
| Compound Name: | 4-[4-(ethanesulfonyl)piperazin-1-yl]-6-methyl-5-[(4-nitrophenyl)methyl]-2-(propan-2-yl)pyrimidine |
| Molecular Weight: | 447.56 |
| Molecular Formula: | C21 H29 N5 O4 S |
| Salt: | not_available |
| Smiles: | CCS(N1CCN(CC1)c1c(Cc2ccc(cc2)[N+]([O-])=O)c(C)nc(C(C)C)n1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9353 |
| logD: | 3.8007 |
| logSw: | -4.0053 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 87.567 |
| InChI Key: | XXUMVJUWNVTZOQ-UHFFFAOYSA-N |