N-[4-(pyridin-4-yl)-1,3-thiazol-2-yl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
Chemical Structure Depiction of
N-[4-(pyridin-4-yl)-1,3-thiazol-2-yl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
N-[4-(pyridin-4-yl)-1,3-thiazol-2-yl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
Compound characteristics
| Compound ID: | Y043-2349 |
| Compound Name: | N-[4-(pyridin-4-yl)-1,3-thiazol-2-yl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide |
| Molecular Weight: | 353.4 |
| Molecular Formula: | C18 H15 N3 O3 S |
| Smiles: | C1COc2ccc(cc2OC1)C(Nc1nc(cs1)c1ccncc1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9201 |
| logD: | 2.9198 |
| logSw: | -3.3157 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.687 |
| InChI Key: | BTYVRWRCJZZXPO-UHFFFAOYSA-N |