N-(4-chloro-1,3-benzothiazol-2-yl)-N-[(pyridin-3-yl)methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
Chemical Structure Depiction of
N-(4-chloro-1,3-benzothiazol-2-yl)-N-[(pyridin-3-yl)methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
N-(4-chloro-1,3-benzothiazol-2-yl)-N-[(pyridin-3-yl)methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
Compound characteristics
| Compound ID: | G786-0394 |
| Compound Name: | N-(4-chloro-1,3-benzothiazol-2-yl)-N-[(pyridin-3-yl)methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide |
| Molecular Weight: | 437.9 |
| Molecular Formula: | C22 H16 Cl N3 O3 S |
| Smiles: | C(c1cccnc1)N(C(c1ccc2c(c1)OCCO2)=O)c1nc2c(cccc2s1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.5981 |
| logD: | 3.598 |
| logSw: | -3.9222 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 51.236 |
| InChI Key: | XHJZFGOMDNIJLB-UHFFFAOYSA-N |