2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-(7,7,9-trimethyl-2,3-dihydro[1,4]dioxino[2,3-g]quinolin-6(7H)-yl)ethan-1-one
Chemical Structure Depiction of
2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-(7,7,9-trimethyl-2,3-dihydro[1,4]dioxino[2,3-g]quinolin-6(7H)-yl)ethan-1-one
2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-(7,7,9-trimethyl-2,3-dihydro[1,4]dioxino[2,3-g]quinolin-6(7H)-yl)ethan-1-one
Compound characteristics
| Compound ID: | Y021-0977 |
| Compound Name: | 2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-(7,7,9-trimethyl-2,3-dihydro[1,4]dioxino[2,3-g]quinolin-6(7H)-yl)ethan-1-one |
| Molecular Weight: | 386.47 |
| Molecular Formula: | C19 H22 N4 O3 S |
| Smiles: | CC1=CC(C)(C)N(C(CSc2nncn2C)=O)c2cc3c(cc12)OCCO3 |
| Stereo: | ACHIRAL |
| logP: | 1.7363 |
| logD: | 1.7363 |
| logSw: | -2.3541 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 55.385 |
| InChI Key: | LFXYHHTZLJSLHY-UHFFFAOYSA-N |