N-{3-[(8-methoxy-4,4-dimethyl-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinolin-1-ylidene)amino]phenyl}propanamide
Chemical Structure Depiction of
N-{3-[(8-methoxy-4,4-dimethyl-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinolin-1-ylidene)amino]phenyl}propanamide
N-{3-[(8-methoxy-4,4-dimethyl-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinolin-1-ylidene)amino]phenyl}propanamide
Compound characteristics
| Compound ID: | Y020-5194 |
| Compound Name: | N-{3-[(8-methoxy-4,4-dimethyl-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinolin-1-ylidene)amino]phenyl}propanamide |
| Molecular Weight: | 425.57 |
| Molecular Formula: | C22 H23 N3 O2 S2 |
| Smiles: | CCC(Nc1cccc(c1)/N=C1/C2=C(C(C)(C)Nc3ccc(cc23)OC)SS1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8944 |
| logD: | 4.8943 |
| logSw: | -4.605 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 50.317 |
| InChI Key: | LYLTWDHOBPIASR-UHFFFAOYSA-N |