7-chloro-N-(prop-2-en-1-yl)-1-benzoxepine-4-carboxamide
Chemical Structure Depiction of
7-chloro-N-(prop-2-en-1-yl)-1-benzoxepine-4-carboxamide
7-chloro-N-(prop-2-en-1-yl)-1-benzoxepine-4-carboxamide
Compound characteristics
Compound ID: | D443-0288 |
Compound Name: | 7-chloro-N-(prop-2-en-1-yl)-1-benzoxepine-4-carboxamide |
Molecular Weight: | 261.71 |
Molecular Formula: | C14 H12 Cl N O2 |
Smiles: | C=CCNC(C1C=COc2ccc(cc2C=1)[Cl])=O |
Stereo: | ACHIRAL |
logP: | 3.1843 |
logD: | 3.1843 |
logSw: | -3.429 |
Hydrogen bond acceptors count: | 3 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 30.3894 |
InChI Key: | OPOCNZXXSWFBBD-UHFFFAOYSA-N |