N-butyl-7-methoxy-1-benzoxepine-4-carboxamide
Chemical Structure Depiction of
N-butyl-7-methoxy-1-benzoxepine-4-carboxamide
N-butyl-7-methoxy-1-benzoxepine-4-carboxamide
Compound characteristics
| Compound ID: | D443-0873 |
| Compound Name: | N-butyl-7-methoxy-1-benzoxepine-4-carboxamide |
| Molecular Weight: | 273.33 |
| Molecular Formula: | C16 H19 N O3 |
| Smiles: | CCCCNC(C1C=COc2ccc(cc2C=1)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5599 |
| logD: | 3.5599 |
| logSw: | -3.6501 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 37.933 |
| InChI Key: | XOXVNJJMEZSJEG-UHFFFAOYSA-N |