1-(4-chlorophenyl)-2-{[2-(4-nitrophenyl)[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl}ethan-1-one
Chemical Structure Depiction of
1-(4-chlorophenyl)-2-{[2-(4-nitrophenyl)[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl}ethan-1-one
1-(4-chlorophenyl)-2-{[2-(4-nitrophenyl)[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl}ethan-1-one
Compound characteristics
| Compound ID: | K280-0125 |
| Compound Name: | 1-(4-chlorophenyl)-2-{[2-(4-nitrophenyl)[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl}ethan-1-one |
| Molecular Weight: | 475.91 |
| Molecular Formula: | C23 H14 Cl N5 O3 S |
| Smiles: | C(C(c1ccc(cc1)[Cl])=O)Sc1nc2ccccc2c2nc(c3ccc(cc3)[N+]([O-])=O)nn12 |
| Stereo: | ACHIRAL |
| logP: | 5.7838 |
| logD: | 5.7784 |
| logSw: | -6.2306 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 76.425 |
| InChI Key: | SERQXZJOJRXTFZ-UHFFFAOYSA-N |