N-[3-cyano-4-(2,4-dichlorophenyl)thiophen-2-yl]-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
N-[3-cyano-4-(2,4-dichlorophenyl)thiophen-2-yl]-2H-1,3-benzodioxole-5-carboxamide
N-[3-cyano-4-(2,4-dichlorophenyl)thiophen-2-yl]-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | Y205-4448 |
| Compound Name: | N-[3-cyano-4-(2,4-dichlorophenyl)thiophen-2-yl]-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 417.27 |
| Molecular Formula: | C19 H10 Cl2 N2 O3 S |
| Smiles: | C1Oc2ccc(cc2O1)C(Nc1c(C#N)c(cs1)c1ccc(cc1[Cl])[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 5.3101 |
| logD: | 5.2674 |
| logSw: | -6.1046 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.024 |
| InChI Key: | KGCBCKZHQSZVNN-UHFFFAOYSA-N |