7-[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-8-methyl-2H-[1,3]dioxolo[4,5-g]quinolin-6(5H)-one
Chemical Structure Depiction of
7-[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-8-methyl-2H-[1,3]dioxolo[4,5-g]quinolin-6(5H)-one
7-[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-8-methyl-2H-[1,3]dioxolo[4,5-g]quinolin-6(5H)-one
Compound characteristics
| Compound ID: | 8011-9907 |
| Compound Name: | 7-[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-8-methyl-2H-[1,3]dioxolo[4,5-g]quinolin-6(5H)-one |
| Molecular Weight: | 454.51 |
| Molecular Formula: | C25 H18 N4 O3 S |
| Smiles: | CC1=C(C(Nc2cc3c(cc12)OCO3)=O)Sc1nnc(c2ccccc2)n1c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 5.0495 |
| logD: | 5.0493 |
| logSw: | -4.6522 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.706 |
| InChI Key: | MJZKZWNZZSTPBQ-UHFFFAOYSA-N |