2-[1-(4-bromophenoxy)butyl]-8,9-dimethoxy[1,2,4]triazolo[1,5-c]quinazoline-5(6H)-thione
Chemical Structure Depiction of
2-[1-(4-bromophenoxy)butyl]-8,9-dimethoxy[1,2,4]triazolo[1,5-c]quinazoline-5(6H)-thione
2-[1-(4-bromophenoxy)butyl]-8,9-dimethoxy[1,2,4]triazolo[1,5-c]quinazoline-5(6H)-thione
Compound characteristics
| Compound ID: | C445-0009 |
| Compound Name: | 2-[1-(4-bromophenoxy)butyl]-8,9-dimethoxy[1,2,4]triazolo[1,5-c]quinazoline-5(6H)-thione |
| Molecular Weight: | 489.39 |
| Molecular Formula: | C21 H21 Br N4 O3 S |
| Smiles: | CCCC(c1nc2c3cc(c(cc3NC(n2n1)=S)OC)OC)Oc1ccc(cc1)[Br] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.3539 |
| logD: | 5.2581 |
| logSw: | -5.5368 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.079 |
| InChI Key: | TXQUPVHAFRNVNR-INIZCTEOSA-N |