2-[(1,3-benzoxazol-2-yl)sulfanyl]-1-(7-methoxy-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-benzoxazol-2-yl)sulfanyl]-1-(7-methoxy-4,4-dimethyl-1-sulfanylidene-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)ethan-1-one
2-[(1,3-benzoxazol-2-yl)sulfanyl]-1-(7-methoxy-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: | 3807-4145 |
| Compound Name: | 2-[(1,3-benzoxazol-2-yl)sulfanyl]-1-(7-methoxy-4,4-dimethyl-1-sulfanylidene-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)ethan-1-one |
| Molecular Weight: | 486.65 |
| Molecular Formula: | C22 H18 N2 O3 S4 |
| Smiles: | CC1(C)C2=C(C(=S)SS2)c2ccc(cc2N1C(CSc1nc2ccccc2o1)=O)OC |
| Stereo: | ACHIRAL |
| logP: | 5.4708 |
| logD: | 5.4708 |
| logSw: | -5.503 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 38.114 |
| InChI Key: | UTGGSGRDTIBUEE-UHFFFAOYSA-N |