7-(4-bromophenyl)-3-[(2-oxo-2-phenylethyl)sulfanyl][1,2,4]triazolo[4,3-a]pyrazin-8(7H)-one
Chemical Structure Depiction of
7-(4-bromophenyl)-3-[(2-oxo-2-phenylethyl)sulfanyl][1,2,4]triazolo[4,3-a]pyrazin-8(7H)-one
7-(4-bromophenyl)-3-[(2-oxo-2-phenylethyl)sulfanyl][1,2,4]triazolo[4,3-a]pyrazin-8(7H)-one
Compound characteristics
| Compound ID: | G802-0975 |
| Compound Name: | 7-(4-bromophenyl)-3-[(2-oxo-2-phenylethyl)sulfanyl][1,2,4]triazolo[4,3-a]pyrazin-8(7H)-one |
| Molecular Weight: | 441.3 |
| Molecular Formula: | C19 H13 Br N4 O2 S |
| Smiles: | C(C(c1ccccc1)=O)Sc1nnc2C(N(C=Cn12)c1ccc(cc1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 2.5919 |
| logD: | 2.5919 |
| logSw: | -2.8019 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 51.949 |
| InChI Key: | TWSBAKOLLZQJHQ-UHFFFAOYSA-N |