6-methyl-2-{[(4-nitrophenyl)methyl]sulfanyl}pyrimidin-4(3H)-one
Chemical Structure Depiction of
6-methyl-2-{[(4-nitrophenyl)methyl]sulfanyl}pyrimidin-4(3H)-one
6-methyl-2-{[(4-nitrophenyl)methyl]sulfanyl}pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | 5471-0100 |
| Compound Name: | 6-methyl-2-{[(4-nitrophenyl)methyl]sulfanyl}pyrimidin-4(3H)-one |
| Molecular Weight: | 277.3 |
| Molecular Formula: | C12 H11 N3 O3 S |
| Smiles: | CC1=CC(NC(=N1)SCc1ccc(cc1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.6539 |
| logD: | 1.1032 |
| logSw: | -2.4943 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.682 |
| InChI Key: | DZLSHRVBNSDZBD-UHFFFAOYSA-N |