1-(4-methylphenyl)-3-{[(4-nitrophenyl)methyl]sulfanyl}pyrazin-2(1H)-one
Chemical Structure Depiction of
1-(4-methylphenyl)-3-{[(4-nitrophenyl)methyl]sulfanyl}pyrazin-2(1H)-one
1-(4-methylphenyl)-3-{[(4-nitrophenyl)methyl]sulfanyl}pyrazin-2(1H)-one
Compound characteristics
| Compound ID: | G195-1015 |
| Compound Name: | 1-(4-methylphenyl)-3-{[(4-nitrophenyl)methyl]sulfanyl}pyrazin-2(1H)-one |
| Molecular Weight: | 353.4 |
| Molecular Formula: | C18 H15 N3 O3 S |
| Smiles: | Cc1ccc(cc1)N1C=CN=C(C1=O)SCc1ccc(cc1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.786 |
| logD: | 2.786 |
| logSw: | -3.0762 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 57.024 |
| InChI Key: | PJUXVJFWEZDHNY-UHFFFAOYSA-N |