ethyl {[2,2-dimethyl-4-(2-{[2-(methylsulfanyl)phenyl]carbamothioyl}hydrazinylidene)-3,4-dihydro-2H-1-benzopyran-6-yl]oxy}acetate
Chemical Structure Depiction of
ethyl {[2,2-dimethyl-4-(2-{[2-(methylsulfanyl)phenyl]carbamothioyl}hydrazinylidene)-3,4-dihydro-2H-1-benzopyran-6-yl]oxy}acetate
ethyl {[2,2-dimethyl-4-(2-{[2-(methylsulfanyl)phenyl]carbamothioyl}hydrazinylidene)-3,4-dihydro-2H-1-benzopyran-6-yl]oxy}acetate
Compound characteristics
| Compound ID: | K786-3889 |
| Compound Name: | ethyl {[2,2-dimethyl-4-(2-{[2-(methylsulfanyl)phenyl]carbamothioyl}hydrazinylidene)-3,4-dihydro-2H-1-benzopyran-6-yl]oxy}acetate |
| Molecular Weight: | 473.61 |
| Molecular Formula: | C23 H27 N3 O4 S2 |
| Smiles: | CCOC(COc1ccc2c(c1)C(/CC(C)(C)O2)=N/NC(Nc1ccccc1SC)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5924 |
| logD: | 4.592 |
| logSw: | -4.4462 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 63.88 |
| InChI Key: | IPPOKTDQZFRHTB-UHFFFAOYSA-N |