4,6-dimethyl-2-{[(4-nitrophenyl)methyl]sulfanyl}pyrimidine
Chemical Structure Depiction of
4,6-dimethyl-2-{[(4-nitrophenyl)methyl]sulfanyl}pyrimidine
4,6-dimethyl-2-{[(4-nitrophenyl)methyl]sulfanyl}pyrimidine
Compound characteristics
| Compound ID: | 8005-4252 |
| Compound Name: | 4,6-dimethyl-2-{[(4-nitrophenyl)methyl]sulfanyl}pyrimidine |
| Molecular Weight: | 275.33 |
| Molecular Formula: | C13 H13 N3 O2 S |
| Smiles: | Cc1cc(C)nc(n1)SCc1ccc(cc1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.8407 |
| logD: | 2.8407 |
| logSw: | -3.1232 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 50.255 |
| InChI Key: | VRRVTSNVLDQZGZ-UHFFFAOYSA-N |