N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(5-methyl-1,3-benzothiazol-2-yl)aniline
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(5-methyl-1,3-benzothiazol-2-yl)aniline
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(5-methyl-1,3-benzothiazol-2-yl)aniline
Compound characteristics
| Compound ID: | 7092-0048 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(5-methyl-1,3-benzothiazol-2-yl)aniline |
| Molecular Weight: | 374.46 |
| Molecular Formula: | C22 H18 N2 O2 S |
| Smiles: | Cc1ccc2c(c1)nc(c1ccc(cc1)NCc1ccc3c(c1)OCO3)s2 |
| Stereo: | ACHIRAL |
| logP: | 5.642 |
| logD: | 5.642 |
| logSw: | -5.5342 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 37.037 |
| InChI Key: | PIIYVDRJTQUADM-UHFFFAOYSA-N |