N-butyl-7-chloro-9-methoxy-1-benzoxepine-4-carboxamide
Chemical Structure Depiction of
N-butyl-7-chloro-9-methoxy-1-benzoxepine-4-carboxamide
N-butyl-7-chloro-9-methoxy-1-benzoxepine-4-carboxamide
Compound characteristics
| Compound ID: | D443-0719 |
| Compound Name: | N-butyl-7-chloro-9-methoxy-1-benzoxepine-4-carboxamide |
| Molecular Weight: | 307.77 |
| Molecular Formula: | C16 H18 Cl N O3 |
| Smiles: | CCCCNC(C1C=COc2c(C=1)cc(cc2OC)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.1401 |
| logD: | 4.1401 |
| logSw: | -4.4357 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 37.704 |
| InChI Key: | OAPJYBGGKANCHX-UHFFFAOYSA-N |