N-(3-chloro-4-fluorophenyl)-2-{2,2-dimethyl-6-[(2-methylphenyl)methoxy]-2,3-dihydro-4H-1-benzopyran-4-ylidene}hydrazine-1-carbothioamide
Chemical Structure Depiction of
N-(3-chloro-4-fluorophenyl)-2-{2,2-dimethyl-6-[(2-methylphenyl)methoxy]-2,3-dihydro-4H-1-benzopyran-4-ylidene}hydrazine-1-carbothioamide
N-(3-chloro-4-fluorophenyl)-2-{2,2-dimethyl-6-[(2-methylphenyl)methoxy]-2,3-dihydro-4H-1-benzopyran-4-ylidene}hydrazine-1-carbothioamide
Compound characteristics
| Compound ID: | K788-1583 |
| Compound Name: | N-(3-chloro-4-fluorophenyl)-2-{2,2-dimethyl-6-[(2-methylphenyl)methoxy]-2,3-dihydro-4H-1-benzopyran-4-ylidene}hydrazine-1-carbothioamide |
| Molecular Weight: | 498.02 |
| Molecular Formula: | C26 H25 Cl F N3 O2 S |
| Smiles: | Cc1ccccc1COc1ccc2c(c1)C(\CC(C)(C)O2)=N/NC(Nc1ccc(c(c1)[Cl])F)=S |
| Stereo: | ACHIRAL |
| logP: | 7.3054 |
| logD: | 7.3038 |
| logSw: | -6.5651 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 44.147 |
| InChI Key: | XJDXPZBMSPDPIM-UHFFFAOYSA-N |