3-[(2H-1,3-benzodioxol-5-yl)amino]-5-(3,4-dimethylphenyl)-4-methyl-1H-1lambda~6~,2-thiazole-1,1-dione
Chemical Structure Depiction of
3-[(2H-1,3-benzodioxol-5-yl)amino]-5-(3,4-dimethylphenyl)-4-methyl-1H-1lambda~6~,2-thiazole-1,1-dione
3-[(2H-1,3-benzodioxol-5-yl)amino]-5-(3,4-dimethylphenyl)-4-methyl-1H-1lambda~6~,2-thiazole-1,1-dione
Compound characteristics
| Compound ID: | E013-0455 |
| Compound Name: | 3-[(2H-1,3-benzodioxol-5-yl)amino]-5-(3,4-dimethylphenyl)-4-methyl-1H-1lambda~6~,2-thiazole-1,1-dione |
| Molecular Weight: | 370.43 |
| Molecular Formula: | C19 H18 N2 O4 S |
| Smiles: | CC1=C(c2ccc(C)c(C)c2)S(N=C1Nc1ccc2c(c1)OCO2)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1542 |
| logD: | 4.1502 |
| logSw: | -4.2495 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.96 |
| InChI Key: | IVUJHMVTVBHKGU-UHFFFAOYSA-N |