N-(6-bromo-1H-indazol-3-yl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide
Chemical Structure Depiction of
N-(6-bromo-1H-indazol-3-yl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide
N-(6-bromo-1H-indazol-3-yl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide
Compound characteristics
| Compound ID: | Y042-5745 |
| Compound Name: | N-(6-bromo-1H-indazol-3-yl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide |
| Molecular Weight: | 402.25 |
| Molecular Formula: | C18 H16 Br N3 O3 |
| Smiles: | C1COc2ccc(CC(Nc3c4ccc(cc4[nH]n3)[Br])=O)cc2OC1 |
| Stereo: | ACHIRAL |
| logP: | 3.1111 |
| logD: | 3.11 |
| logSw: | -3.2836 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 62.386 |
| InChI Key: | SEFGTICZUSBCLW-UHFFFAOYSA-N |