1-(4-bromophenyl)-2-{[2-(3-nitrophenyl)[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl}ethan-1-one
Chemical Structure Depiction of
1-(4-bromophenyl)-2-{[2-(3-nitrophenyl)[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl}ethan-1-one
1-(4-bromophenyl)-2-{[2-(3-nitrophenyl)[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl}ethan-1-one
Compound characteristics
| Compound ID: | K280-0197 |
| Compound Name: | 1-(4-bromophenyl)-2-{[2-(3-nitrophenyl)[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl}ethan-1-one |
| Molecular Weight: | 520.36 |
| Molecular Formula: | C23 H14 Br N5 O3 S |
| Smiles: | C(C(c1ccc(cc1)[Br])=O)Sc1nc2ccccc2c2nc(c3cccc(c3)[N+]([O-])=O)nn12 |
| Stereo: | ACHIRAL |
| logP: | 6.0414 |
| logD: | 6.0409 |
| logSw: | -6.3272 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 76.425 |
| InChI Key: | XNTADOCJFSDKMS-UHFFFAOYSA-N |