7-bromo-N-(prop-2-en-1-yl)-1-benzoxepine-4-carboxamide
Chemical Structure Depiction of
7-bromo-N-(prop-2-en-1-yl)-1-benzoxepine-4-carboxamide
7-bromo-N-(prop-2-en-1-yl)-1-benzoxepine-4-carboxamide
Compound characteristics
| Compound ID: | D443-0433 |
| Compound Name: | 7-bromo-N-(prop-2-en-1-yl)-1-benzoxepine-4-carboxamide |
| Molecular Weight: | 306.16 |
| Molecular Formula: | C14 H12 Br N O2 |
| Smiles: | C=CCNC(C1C=COc2ccc(cc2C=1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 3.3118 |
| logD: | 3.3118 |
| logSw: | -3.5387 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 30.3894 |
| InChI Key: | ZTEFLIBXLJCVST-UHFFFAOYSA-N |