2-[(1,3-benzothiazol-2-yl)sulfanyl]-1-(4,4-dimethyl-1-sulfanylidene-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)ethan-1-one
Chemical Structure Depiction of
2-[(1,3-benzothiazol-2-yl)sulfanyl]-1-(4,4-dimethyl-1-sulfanylidene-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)ethan-1-one
2-[(1,3-benzothiazol-2-yl)sulfanyl]-1-(4,4-dimethyl-1-sulfanylidene-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)ethan-1-one
Compound characteristics
| Compound ID: | 3807-4784 |
| Compound Name: | 2-[(1,3-benzothiazol-2-yl)sulfanyl]-1-(4,4-dimethyl-1-sulfanylidene-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)ethan-1-one |
| Molecular Weight: | 472.69 |
| Molecular Formula: | C21 H16 N2 O S5 |
| Smiles: | CC1(C)C2=C(C(=S)SS2)c2ccccc2N1C(CSc1nc2ccccc2s1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.6658 |
| logD: | 5.6658 |
| logSw: | -5.5035 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 22.9884 |
| InChI Key: | RKPYOEQEEYUNEK-UHFFFAOYSA-N |