ethyl [(4-{2-[(3-chloro-2-methylphenyl)carbamothioyl]hydrazinylidene}-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-6-yl)oxy]acetate
Chemical Structure Depiction of
ethyl [(4-{2-[(3-chloro-2-methylphenyl)carbamothioyl]hydrazinylidene}-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-6-yl)oxy]acetate
ethyl [(4-{2-[(3-chloro-2-methylphenyl)carbamothioyl]hydrazinylidene}-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-6-yl)oxy]acetate
Compound characteristics
| Compound ID: | K786-3898 |
| Compound Name: | ethyl [(4-{2-[(3-chloro-2-methylphenyl)carbamothioyl]hydrazinylidene}-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-6-yl)oxy]acetate |
| Molecular Weight: | 475.99 |
| Molecular Formula: | C23 H26 Cl N3 O4 S |
| Smiles: | CCOC(COc1ccc2c(c1)C(/CC(C)(C)O2)=N/NC(Nc1cccc(c1C)[Cl])=S)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3442 |
| logD: | 5.3393 |
| logSw: | -5.8761 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 63.88 |
| InChI Key: | OXQPXFWTPBRJNP-UHFFFAOYSA-N |