N-{4-[(8-methoxy-4,4-dimethyl-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinolin-1-ylidene)amino]benzene-1-sulfonyl}acetamide
Chemical Structure Depiction of
N-{4-[(8-methoxy-4,4-dimethyl-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinolin-1-ylidene)amino]benzene-1-sulfonyl}acetamide
N-{4-[(8-methoxy-4,4-dimethyl-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinolin-1-ylidene)amino]benzene-1-sulfonyl}acetamide
Compound characteristics
| Compound ID: | 8010-0681 |
| Compound Name: | N-{4-[(8-methoxy-4,4-dimethyl-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinolin-1-ylidene)amino]benzene-1-sulfonyl}acetamide |
| Molecular Weight: | 475.61 |
| Molecular Formula: | C21 H21 N3 O4 S3 |
| Smiles: | CC(NS(c1ccc(cc1)/N=C1/C2=C(C(C)(C)Nc3ccc(cc23)OC)SS1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0433 |
| logD: | -0.1032 |
| logSw: | -3.6902 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.167 |
| InChI Key: | NJPSDXCMQBPMNI-UHFFFAOYSA-N |