ethyl {[2,2-dimethyl-4-(2-{[4-(propan-2-yl)phenyl]carbamothioyl}hydrazinylidene)-3,4-dihydro-2H-1-benzopyran-6-yl]oxy}acetate
Chemical Structure Depiction of
ethyl {[2,2-dimethyl-4-(2-{[4-(propan-2-yl)phenyl]carbamothioyl}hydrazinylidene)-3,4-dihydro-2H-1-benzopyran-6-yl]oxy}acetate
ethyl {[2,2-dimethyl-4-(2-{[4-(propan-2-yl)phenyl]carbamothioyl}hydrazinylidene)-3,4-dihydro-2H-1-benzopyran-6-yl]oxy}acetate
Compound characteristics
| Compound ID: | K786-3886 |
| Compound Name: | ethyl {[2,2-dimethyl-4-(2-{[4-(propan-2-yl)phenyl]carbamothioyl}hydrazinylidene)-3,4-dihydro-2H-1-benzopyran-6-yl]oxy}acetate |
| Molecular Weight: | 469.6 |
| Molecular Formula: | C25 H31 N3 O4 S |
| Smiles: | CCOC(COc1ccc2c(c1)C(/CC(C)(C)O2)=N/NC(Nc1ccc(cc1)C(C)C)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 5.6338 |
| logD: | 5.6327 |
| logSw: | -5.4583 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 64.578 |
| InChI Key: | FZNINCRTDBONCM-UHFFFAOYSA-N |