1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-{[(3-nitrophenyl)methyl]sulfanyl}pyrazin-2(1H)-one
Chemical Structure Depiction of
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-{[(3-nitrophenyl)methyl]sulfanyl}pyrazin-2(1H)-one
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-{[(3-nitrophenyl)methyl]sulfanyl}pyrazin-2(1H)-one
Compound characteristics
| Compound ID: | G195-0956 |
| Compound Name: | 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-{[(3-nitrophenyl)methyl]sulfanyl}pyrazin-2(1H)-one |
| Molecular Weight: | 397.41 |
| Molecular Formula: | C19 H15 N3 O5 S |
| Smiles: | C1COc2cc(ccc2O1)N1C=CN=C(C1=O)SCc1cccc(c1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 1.6872 |
| logD: | 1.6872 |
| logSw: | -2.2286 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 72.847 |
| InChI Key: | XCHSPJMJFZSDRN-UHFFFAOYSA-N |