N-butyl-7-chloro-1-benzoxepine-4-carboxamide
Chemical Structure Depiction of
N-butyl-7-chloro-1-benzoxepine-4-carboxamide
N-butyl-7-chloro-1-benzoxepine-4-carboxamide
Compound characteristics
| Compound ID: | D443-0300 |
| Compound Name: | N-butyl-7-chloro-1-benzoxepine-4-carboxamide |
| Molecular Weight: | 277.75 |
| Molecular Formula: | C15 H16 Cl N O2 |
| Smiles: | CCCCNC(C1C=COc2ccc(cc2C=1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.1672 |
| logD: | 4.1672 |
| logSw: | -4.3187 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 30.3894 |
| InChI Key: | XCSRCTZKZNPEHI-UHFFFAOYSA-N |