N-(3-chloro-2-methylphenyl)-2-{6-[(4-fluorophenyl)methoxy]-2,2-dimethyl-2,3-dihydro-4H-1-benzopyran-4-ylidene}hydrazine-1-carbothioamide
Chemical Structure Depiction of
N-(3-chloro-2-methylphenyl)-2-{6-[(4-fluorophenyl)methoxy]-2,2-dimethyl-2,3-dihydro-4H-1-benzopyran-4-ylidene}hydrazine-1-carbothioamide
N-(3-chloro-2-methylphenyl)-2-{6-[(4-fluorophenyl)methoxy]-2,2-dimethyl-2,3-dihydro-4H-1-benzopyran-4-ylidene}hydrazine-1-carbothioamide
Compound characteristics
| Compound ID: | K788-2027 |
| Compound Name: | N-(3-chloro-2-methylphenyl)-2-{6-[(4-fluorophenyl)methoxy]-2,2-dimethyl-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: | Cc1c(cccc1[Cl])NC(N/N=C1\CC(C)(C)Oc2ccc(cc12)OCc1ccc(cc1)F)=S |
| Stereo: | ACHIRAL |
| logP: | 7.0725 |
| logD: | 7.0675 |
| logSw: | -6.612 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 43.45 |
| InChI Key: | MJSVBWMPSSJREW-UHFFFAOYSA-N |