2-[1-(4-bromophenoxy)ethyl][1,2,4]triazolo[1,5-c]quinazoline-5(6H)-thione
Chemical Structure Depiction of
2-[1-(4-bromophenoxy)ethyl][1,2,4]triazolo[1,5-c]quinazoline-5(6H)-thione
2-[1-(4-bromophenoxy)ethyl][1,2,4]triazolo[1,5-c]quinazoline-5(6H)-thione
Compound characteristics
| Compound ID: | K280-0018 |
| Compound Name: | 2-[1-(4-bromophenoxy)ethyl][1,2,4]triazolo[1,5-c]quinazoline-5(6H)-thione |
| Molecular Weight: | 401.28 |
| Molecular Formula: | C17 H13 Br N4 O S |
| Smiles: | CC(c1nc2c3ccccc3NC(n2n1)=S)Oc1ccc(cc1)[Br] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7327 |
| logD: | 4.7274 |
| logSw: | -4.5509 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.935 |
| InChI Key: | PBUIEOUONMVIBU-JTQLQIEISA-N |