1-(4,4-dimethyl-8-nitro-1-sulfanylidene-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)-3-methylbutan-1-one
Chemical Structure Depiction of
1-(4,4-dimethyl-8-nitro-1-sulfanylidene-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)-3-methylbutan-1-one
1-(4,4-dimethyl-8-nitro-1-sulfanylidene-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)-3-methylbutan-1-one
Compound characteristics
| Compound ID: | 3389-0656 |
| Compound Name: | 1-(4,4-dimethyl-8-nitro-1-sulfanylidene-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)-3-methylbutan-1-one |
| Molecular Weight: | 394.53 |
| Molecular Formula: | C17 H18 N2 O3 S3 |
| Smiles: | CC(C)CC(N1c2ccc(cc2C2=C(C1(C)C)SSC2=S)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3276 |
| logD: | 4.3276 |
| logSw: | -4.4186 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 47.56 |
| InChI Key: | PANKJNLGLQVTQK-UHFFFAOYSA-N |