4-[(8-ethoxy-4,4-dimethyl-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinolin-1-ylidene)amino]-N-(pyrimidin-2-yl)benzene-1-sulfonamide
Chemical Structure Depiction of
4-[(8-ethoxy-4,4-dimethyl-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinolin-1-ylidene)amino]-N-(pyrimidin-2-yl)benzene-1-sulfonamide
4-[(8-ethoxy-4,4-dimethyl-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinolin-1-ylidene)amino]-N-(pyrimidin-2-yl)benzene-1-sulfonamide
Compound characteristics
| Compound ID: | 3785-0004 |
| Compound Name: | 4-[(8-ethoxy-4,4-dimethyl-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinolin-1-ylidene)amino]-N-(pyrimidin-2-yl)benzene-1-sulfonamide |
| Molecular Weight: | 525.67 |
| Molecular Formula: | C24 H23 N5 O3 S3 |
| Smiles: | CCOc1ccc2c(c1)C1=C(C(C)(C)N2)SSC/1=N/c1ccc(cc1)S(Nc1ncccn1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8613 |
| logD: | 2.3077 |
| logSw: | -4.0332 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 87.967 |
| InChI Key: | AOVDEJYQLGTJOE-UHFFFAOYSA-N |