3-[(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-4-methyl-5-[4-(propan-2-yl)phenyl]-1H-1lambda~6~,2-thiazole-1,1-dione
Chemical Structure Depiction of
3-[(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-4-methyl-5-[4-(propan-2-yl)phenyl]-1H-1lambda~6~,2-thiazole-1,1-dione
3-[(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-4-methyl-5-[4-(propan-2-yl)phenyl]-1H-1lambda~6~,2-thiazole-1,1-dione
Compound characteristics
| Compound ID: | E013-2956 |
| Compound Name: | 3-[(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-4-methyl-5-[4-(propan-2-yl)phenyl]-1H-1lambda~6~,2-thiazole-1,1-dione |
| Molecular Weight: | 398.48 |
| Molecular Formula: | C21 H22 N2 O4 S |
| Smiles: | CC(C)c1ccc(cc1)C1=C(C)C(Nc2ccc3c(c2)OCCO3)=NS1(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7109 |
| logD: | 3.7068 |
| logSw: | -3.9969 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.668 |
| InChI Key: | QBPUYHOMMLDUCR-UHFFFAOYSA-N |