1-(4-bromophenyl)-3-{[(4-nitrophenyl)methyl]sulfanyl}pyrazin-2(1H)-one
Chemical Structure Depiction of
1-(4-bromophenyl)-3-{[(4-nitrophenyl)methyl]sulfanyl}pyrazin-2(1H)-one
1-(4-bromophenyl)-3-{[(4-nitrophenyl)methyl]sulfanyl}pyrazin-2(1H)-one
Compound characteristics
| Compound ID: | G195-0948 |
| Compound Name: | 1-(4-bromophenyl)-3-{[(4-nitrophenyl)methyl]sulfanyl}pyrazin-2(1H)-one |
| Molecular Weight: | 418.27 |
| Molecular Formula: | C17 H12 Br N3 O3 S |
| Smiles: | C(c1ccc(cc1)[N+]([O-])=O)SC1C(N(C=CN=1)c1ccc(cc1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 3.1966 |
| logD: | 3.1966 |
| logSw: | -3.3759 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 57.024 |
| InChI Key: | CXOHGLNUNWKTNS-UHFFFAOYSA-N |