3-{[(3-nitrophenyl)methyl]sulfanyl}-1-[4-(propan-2-yl)phenyl]pyrazin-2(1H)-one
Chemical Structure Depiction of
3-{[(3-nitrophenyl)methyl]sulfanyl}-1-[4-(propan-2-yl)phenyl]pyrazin-2(1H)-one
3-{[(3-nitrophenyl)methyl]sulfanyl}-1-[4-(propan-2-yl)phenyl]pyrazin-2(1H)-one
Compound characteristics
| Compound ID: | G195-0984 |
| Compound Name: | 3-{[(3-nitrophenyl)methyl]sulfanyl}-1-[4-(propan-2-yl)phenyl]pyrazin-2(1H)-one |
| Molecular Weight: | 381.45 |
| Molecular Formula: | C20 H19 N3 O3 S |
| Smiles: | CC(C)c1ccc(cc1)N1C=CN=C(C1=O)SCc1cccc(c1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.9149 |
| logD: | 3.9149 |
| logSw: | -3.8996 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 57.024 |
| InChI Key: | IARURTUARBTJPR-UHFFFAOYSA-N |