2-{2,2-dimethyl-6-[(2-methylphenyl)methoxy]-2,3-dihydro-4H-1-benzopyran-4-ylidene}-N-(3-methoxyphenyl)hydrazine-1-carbothioamide
Chemical Structure Depiction of
2-{2,2-dimethyl-6-[(2-methylphenyl)methoxy]-2,3-dihydro-4H-1-benzopyran-4-ylidene}-N-(3-methoxyphenyl)hydrazine-1-carbothioamide
2-{2,2-dimethyl-6-[(2-methylphenyl)methoxy]-2,3-dihydro-4H-1-benzopyran-4-ylidene}-N-(3-methoxyphenyl)hydrazine-1-carbothioamide
Compound characteristics
| Compound ID: | K788-1587 |
| Compound Name: | 2-{2,2-dimethyl-6-[(2-methylphenyl)methoxy]-2,3-dihydro-4H-1-benzopyran-4-ylidene}-N-(3-methoxyphenyl)hydrazine-1-carbothioamide |
| Molecular Weight: | 475.61 |
| Molecular Formula: | C27 H29 N3 O3 S |
| Smiles: | Cc1ccccc1COc1ccc2c(c1)C(\CC(C)(C)O2)=N/NC(Nc1cccc(c1)OC)=S |
| Stereo: | ACHIRAL |
| logP: | 6.6417 |
| logD: | 6.6406 |
| logSw: | -5.9196 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 51.691 |
| InChI Key: | VPSSMDFFTZSWHR-UHFFFAOYSA-N |