1-(3-chloro-4-methoxyphenyl)-3-{[(4-nitrophenyl)methyl]sulfanyl}pyrazin-2(1H)-one
Chemical Structure Depiction of
1-(3-chloro-4-methoxyphenyl)-3-{[(4-nitrophenyl)methyl]sulfanyl}pyrazin-2(1H)-one
1-(3-chloro-4-methoxyphenyl)-3-{[(4-nitrophenyl)methyl]sulfanyl}pyrazin-2(1H)-one
Compound characteristics
| Compound ID: | G195-0703 |
| Compound Name: | 1-(3-chloro-4-methoxyphenyl)-3-{[(4-nitrophenyl)methyl]sulfanyl}pyrazin-2(1H)-one |
| Molecular Weight: | 403.84 |
| Molecular Formula: | C18 H14 Cl N3 O4 S |
| Smiles: | COc1ccc(cc1[Cl])N1C=CN=C(C1=O)SCc1ccc(cc1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.7531 |
| logD: | 2.7531 |
| logSw: | -3.3764 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 64.655 |
| InChI Key: | XODXOALOCIBFCW-UHFFFAOYSA-N |