N-{4-[(8-ethoxy-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-ethoxy-4,4-dimethyl-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinolin-1-ylidene)amino]benzene-1-sulfonyl}acetamide
N-{4-[(8-ethoxy-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: | 4477-2115 |
| Compound Name: | N-{4-[(8-ethoxy-4,4-dimethyl-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinolin-1-ylidene)amino]benzene-1-sulfonyl}acetamide |
| Molecular Weight: | 489.63 |
| Molecular Formula: | C22 H23 N3 O4 S3 |
| Smiles: | CCOc1ccc2c(c1)C1=C(C(C)(C)N2)SSC/1=N/c1ccc(cc1)S(NC(C)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4307 |
| logD: | 0.2842 |
| logSw: | -3.8208 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.747 |
| InChI Key: | IVYOGMVVURIHSH-UHFFFAOYSA-N |