ethyl [(2,2-dimethyl-4-{2-[(2,4,6-trimethylphenyl)carbamothioyl]hydrazinylidene}-3,4-dihydro-2H-1-benzopyran-6-yl)oxy]acetate
Chemical Structure Depiction of
ethyl [(2,2-dimethyl-4-{2-[(2,4,6-trimethylphenyl)carbamothioyl]hydrazinylidene}-3,4-dihydro-2H-1-benzopyran-6-yl)oxy]acetate
ethyl [(2,2-dimethyl-4-{2-[(2,4,6-trimethylphenyl)carbamothioyl]hydrazinylidene}-3,4-dihydro-2H-1-benzopyran-6-yl)oxy]acetate
Compound characteristics
| Compound ID: | K786-3888 |
| Compound Name: | ethyl [(2,2-dimethyl-4-{2-[(2,4,6-trimethylphenyl)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(Nc1c(C)cc(C)cc1C)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8763 |
| logD: | 4.8539 |
| logSw: | -4.6361 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 63.182 |
| InChI Key: | RDTZPURBXZLTAG-UHFFFAOYSA-N |