7-chloro-9-methoxy-N-(prop-2-en-1-yl)-1-benzoxepine-4-carboxamide
Chemical Structure Depiction of
7-chloro-9-methoxy-N-(prop-2-en-1-yl)-1-benzoxepine-4-carboxamide
7-chloro-9-methoxy-N-(prop-2-en-1-yl)-1-benzoxepine-4-carboxamide
Compound characteristics
| Compound ID: | D443-0708 |
| Compound Name: | 7-chloro-9-methoxy-N-(prop-2-en-1-yl)-1-benzoxepine-4-carboxamide |
| Molecular Weight: | 291.73 |
| Molecular Formula: | C15 H14 Cl N O3 |
| Smiles: | COc1cc(cc2C=C(C=COc12)C(NCC=C)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.1573 |
| logD: | 3.1573 |
| logSw: | -3.5276 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 37.704 |
| InChI Key: | IQJOKZYIXPYXEZ-UHFFFAOYSA-N |