4,6-dimethyl-2-{[2-nitro-4-(trifluoromethanesulfonyl)phenyl]sulfanyl}pyrimidine
Chemical Structure Depiction of
4,6-dimethyl-2-{[2-nitro-4-(trifluoromethanesulfonyl)phenyl]sulfanyl}pyrimidine
4,6-dimethyl-2-{[2-nitro-4-(trifluoromethanesulfonyl)phenyl]sulfanyl}pyrimidine
Compound characteristics
| Compound ID: | 4358-6243 |
| Compound Name: | 4,6-dimethyl-2-{[2-nitro-4-(trifluoromethanesulfonyl)phenyl]sulfanyl}pyrimidine |
| Molecular Weight: | 393.36 |
| Molecular Formula: | C13 H10 F3 N3 O4 S2 |
| Smiles: | Cc1cc(C)nc(n1)Sc1ccc(cc1[N+]([O-])=O)S(C(F)(F)F)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4533 |
| logD: | 4.4533 |
| logSw: | -4.4812 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 79.726 |
| InChI Key: | ZCFJYEWCSVXNAQ-UHFFFAOYSA-N |