8-methyl-7-{[4-phenyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-2H-[1,3]dioxolo[4,5-g]quinolin-6(5H)-one
Chemical Structure Depiction of
8-methyl-7-{[4-phenyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-2H-[1,3]dioxolo[4,5-g]quinolin-6(5H)-one
8-methyl-7-{[4-phenyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-2H-[1,3]dioxolo[4,5-g]quinolin-6(5H)-one
Compound characteristics
| Compound ID: | 8014-2007 |
| Compound Name: | 8-methyl-7-{[4-phenyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-2H-[1,3]dioxolo[4,5-g]quinolin-6(5H)-one |
| Molecular Weight: | 455.49 |
| Molecular Formula: | C24 H17 N5 O3 S |
| Smiles: | CC1=C(C(Nc2cc3c(cc12)OCO3)=O)Sc1nnc(c2ccncc2)n1c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 3.9055 |
| logD: | 3.9053 |
| logSw: | -3.9924 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.134 |
| InChI Key: | LWTYCWNESPCLBH-UHFFFAOYSA-N |