2-{[2-(3-nitrophenyl)[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl}-1-phenylethan-1-one
Chemical Structure Depiction of
2-{[2-(3-nitrophenyl)[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl}-1-phenylethan-1-one
2-{[2-(3-nitrophenyl)[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl}-1-phenylethan-1-one
Compound characteristics
| Compound ID: | K280-0196 |
| Compound Name: | 2-{[2-(3-nitrophenyl)[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl}-1-phenylethan-1-one |
| Molecular Weight: | 441.47 |
| Molecular Formula: | C23 H15 N5 O3 S |
| Smiles: | C(C(c1ccccc1)=O)Sc1nc2ccccc2c2nc(c3cccc(c3)[N+]([O-])=O)nn12 |
| Stereo: | ACHIRAL |
| logP: | 5.1024 |
| logD: | 5.102 |
| logSw: | -5.5903 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 76.425 |
| InChI Key: | UKMNRQYQICMRGT-UHFFFAOYSA-N |