methyl [2-(3,4-dichloroanilino)-4-oxo-1,3-thiazol-5(4H)-ylidene]acetate
Chemical Structure Depiction of
methyl [2-(3,4-dichloroanilino)-4-oxo-1,3-thiazol-5(4H)-ylidene]acetate
methyl [2-(3,4-dichloroanilino)-4-oxo-1,3-thiazol-5(4H)-ylidene]acetate
Compound characteristics
| Compound ID: | Y020-5315 |
| Compound Name: | methyl [2-(3,4-dichloroanilino)-4-oxo-1,3-thiazol-5(4H)-ylidene]acetate |
| Molecular Weight: | 331.17 |
| Molecular Formula: | C12 H8 Cl2 N2 O3 S |
| Smiles: | COC(/C=C1/C(N=C(Nc2ccc(c(c2)[Cl])[Cl])S1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3932 |
| logD: | 2.0886 |
| logSw: | -3.7702 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.475 |
| InChI Key: | CHILQTLHZRNFJX-UHFFFAOYSA-N |