2-[(2-bromophenoxy)methyl]-8,9-dimethoxy[1,2,4]triazolo[1,5-c]quinazoline-5(6H)-thione
Chemical Structure Depiction of
2-[(2-bromophenoxy)methyl]-8,9-dimethoxy[1,2,4]triazolo[1,5-c]quinazoline-5(6H)-thione
2-[(2-bromophenoxy)methyl]-8,9-dimethoxy[1,2,4]triazolo[1,5-c]quinazoline-5(6H)-thione
Compound characteristics
| Compound ID: | C445-0007 |
| Compound Name: | 2-[(2-bromophenoxy)methyl]-8,9-dimethoxy[1,2,4]triazolo[1,5-c]quinazoline-5(6H)-thione |
| Molecular Weight: | 447.31 |
| Molecular Formula: | C18 H15 Br N4 O3 S |
| Smiles: | COc1cc2c(cc1OC)NC(n1c2nc(COc2ccccc2[Br])n1)=S |
| Stereo: | ACHIRAL |
| logP: | 3.5623 |
| logD: | 3.4666 |
| logSw: | -3.9213 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.983 |
| InChI Key: | SYRSWGKLEFOOKP-UHFFFAOYSA-N |