1-(2H-1,3-benzodioxol-5-yl)-3-{4-[(pyridin-4-yl)methyl]anilino}propan-1-one
Chemical Structure Depiction of
1-(2H-1,3-benzodioxol-5-yl)-3-{4-[(pyridin-4-yl)methyl]anilino}propan-1-one
1-(2H-1,3-benzodioxol-5-yl)-3-{4-[(pyridin-4-yl)methyl]anilino}propan-1-one
Compound characteristics
| Compound ID: | 8017-9207 |
| Compound Name: | 1-(2H-1,3-benzodioxol-5-yl)-3-{4-[(pyridin-4-yl)methyl]anilino}propan-1-one |
| Molecular Weight: | 360.41 |
| Molecular Formula: | C22 H20 N2 O3 |
| Smiles: | C(CNc1ccc(Cc2ccncc2)cc1)C(c1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7221 |
| logD: | 3.721 |
| logSw: | -4.1422 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.833 |
| InChI Key: | SKMYQGDLSAVMER-UHFFFAOYSA-N |