2-{[4-(methanesulfonyl)-2-nitrophenyl]sulfanyl}-4,6-dimethylpyrimidine
Chemical Structure Depiction of
2-{[4-(methanesulfonyl)-2-nitrophenyl]sulfanyl}-4,6-dimethylpyrimidine
2-{[4-(methanesulfonyl)-2-nitrophenyl]sulfanyl}-4,6-dimethylpyrimidine
Compound characteristics
| Compound ID: | 5400-0413 |
| Compound Name: | 2-{[4-(methanesulfonyl)-2-nitrophenyl]sulfanyl}-4,6-dimethylpyrimidine |
| Molecular Weight: | 339.39 |
| Molecular Formula: | C13 H13 N3 O4 S2 |
| Smiles: | Cc1cc(C)nc(n1)Sc1ccc(cc1[N+]([O-])=O)S(C)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3844 |
| logD: | 2.3844 |
| logSw: | -2.6499 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 79.702 |
| InChI Key: | UVADKUNEJLYWJR-UHFFFAOYSA-N |