1-(4-bromophenyl)-2-{[8,9-dimethoxy-2-(4-nitrophenyl)[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl}ethan-1-one
Chemical Structure Depiction of
1-(4-bromophenyl)-2-{[8,9-dimethoxy-2-(4-nitrophenyl)[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl}ethan-1-one
1-(4-bromophenyl)-2-{[8,9-dimethoxy-2-(4-nitrophenyl)[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl}ethan-1-one
Compound characteristics
| Compound ID: | C445-0137 |
| Compound Name: | 1-(4-bromophenyl)-2-{[8,9-dimethoxy-2-(4-nitrophenyl)[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl}ethan-1-one |
| Molecular Weight: | 580.42 |
| Molecular Formula: | C25 H18 Br N5 O5 S |
| Smiles: | COc1cc2c(cc1OC)nc(n1c2nc(c2ccc(cc2)[N+]([O-])=O)n1)SCC(c1ccc(cc1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 5.7113 |
| logD: | 5.705 |
| logSw: | -5.5739 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 91.686 |
| InChI Key: | KXZBBKFRHDFNOC-UHFFFAOYSA-N |