2-[(1-phenyl-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-phenyl-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-phenyl-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: | Y021-2417 |
| Compound Name: | 2-[(1-phenyl-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: | 449.53 |
| Molecular Formula: | C23 H23 N5 O3 S |
| Smiles: | CC1=CC(C)(C)N(C(CSc2nnnn2c2ccccc2)=O)c2cc3c(cc12)OCCO3 |
| Stereo: | ACHIRAL |
| logP: | 3.3141 |
| logD: | 3.3141 |
| logSw: | -3.8043 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 69.542 |
| InChI Key: | VJZABEBHOOAYPL-UHFFFAOYSA-N |