N-{4-[2-(3,5-dimethylanilino)-2-oxoethyl]-1,3-thiazol-2-yl}-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
N-{4-[2-(3,5-dimethylanilino)-2-oxoethyl]-1,3-thiazol-2-yl}-2H-1,3-benzodioxole-5-carboxamide
N-{4-[2-(3,5-dimethylanilino)-2-oxoethyl]-1,3-thiazol-2-yl}-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | F186-0871 |
| Compound Name: | N-{4-[2-(3,5-dimethylanilino)-2-oxoethyl]-1,3-thiazol-2-yl}-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 409.46 |
| Molecular Formula: | C21 H19 N3 O4 S |
| Smiles: | Cc1cc(C)cc(c1)NC(Cc1csc(NC(c2ccc3c(c2)OCO3)=O)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3551 |
| logD: | 4.3462 |
| logSw: | -4.3803 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.865 |
| InChI Key: | AVXHCJXZIRUKOK-UHFFFAOYSA-N |