1-(2-methoxy-5-methylphenyl)-3-{[(4-nitrophenyl)methyl]sulfanyl}pyrazin-2(1H)-one
Chemical Structure Depiction of
1-(2-methoxy-5-methylphenyl)-3-{[(4-nitrophenyl)methyl]sulfanyl}pyrazin-2(1H)-one
1-(2-methoxy-5-methylphenyl)-3-{[(4-nitrophenyl)methyl]sulfanyl}pyrazin-2(1H)-one
Compound characteristics
| Compound ID: | G195-0814 |
| Compound Name: | 1-(2-methoxy-5-methylphenyl)-3-{[(4-nitrophenyl)methyl]sulfanyl}pyrazin-2(1H)-one |
| Molecular Weight: | 383.42 |
| Molecular Formula: | C19 H17 N3 O4 S |
| Smiles: | Cc1ccc(c(c1)N1C=CN=C(C1=O)SCc1ccc(cc1)[N+]([O-])=O)OC |
| Stereo: | ACHIRAL |
| logP: | 2.7089 |
| logD: | 2.7089 |
| logSw: | -3.0425 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 64.354 |
| InChI Key: | OXBBLLGHJFLBKW-UHFFFAOYSA-N |