2-[(1-methyl-1H-tetrazol-5-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-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]-1-(7,7,9-trimethyl-2,3-dihydro[1,4]dioxino[2,3-g]quinolin-6(7H)-yl)ethan-1-one
2-[(1-methyl-1H-tetrazol-5-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: | Y021-2418 |
| Compound Name: | 2-[(1-methyl-1H-tetrazol-5-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: | 387.46 |
| Molecular Formula: | C18 H21 N5 O3 S |
| Smiles: | CC1=CC(C)(C)N(C(CSc2nnnn2C)=O)c2cc3c(cc12)OCCO3 |
| Stereo: | ACHIRAL |
| logP: | 1.6945 |
| logD: | 1.6945 |
| logSw: | -2.3833 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 69.963 |
| InChI Key: | VFBWQGQFNSPAAZ-UHFFFAOYSA-N |