N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(1,3-benzothiazol-2-yl)aniline
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(1,3-benzothiazol-2-yl)aniline
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(1,3-benzothiazol-2-yl)aniline
Compound characteristics
| Compound ID: | 8009-6212 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(1,3-benzothiazol-2-yl)aniline |
| Molecular Weight: | 360.43 |
| Molecular Formula: | C21 H16 N2 O2 S |
| Smiles: | C(c1ccc2c(c1)OCO2)Nc1ccc(cc1)c1nc2ccccc2s1 |
| Stereo: | ACHIRAL |
| logP: | 5.2365 |
| logD: | 5.2365 |
| logSw: | -5.6044 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 37.037 |
| InChI Key: | LJKLNHZUQGJKTC-UHFFFAOYSA-N |