1-(3,5-dimethylphenyl)-3-{[(3-nitrophenyl)methyl]sulfanyl}pyrazin-2(1H)-one
Chemical Structure Depiction of
1-(3,5-dimethylphenyl)-3-{[(3-nitrophenyl)methyl]sulfanyl}pyrazin-2(1H)-one
1-(3,5-dimethylphenyl)-3-{[(3-nitrophenyl)methyl]sulfanyl}pyrazin-2(1H)-one
Compound characteristics
| Compound ID: | G195-1006 |
| Compound Name: | 1-(3,5-dimethylphenyl)-3-{[(3-nitrophenyl)methyl]sulfanyl}pyrazin-2(1H)-one |
| Molecular Weight: | 367.42 |
| Molecular Formula: | C19 H17 N3 O3 S |
| Smiles: | Cc1cc(C)cc(c1)N1C=CN=C(C1=O)SCc1cccc(c1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.6514 |
| logD: | 3.6514 |
| logSw: | -3.799 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 57.024 |
| InChI Key: | YBAJSRBZZZCGDM-UHFFFAOYSA-N |