4-[(1-benzoxepine-4-carbonyl)amino]phenyl thiocyanate
Chemical Structure Depiction of
4-[(1-benzoxepine-4-carbonyl)amino]phenyl thiocyanate
4-[(1-benzoxepine-4-carbonyl)amino]phenyl thiocyanate
Compound characteristics
| Compound ID: | D443-0067 |
| Compound Name: | 4-[(1-benzoxepine-4-carbonyl)amino]phenyl thiocyanate |
| Molecular Weight: | 320.37 |
| Molecular Formula: | C18 H12 N2 O2 S |
| Smiles: | C1=COc2ccccc2C=C1C(Nc1ccc(cc1)SC#N)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3092 |
| logD: | 4.3092 |
| logSw: | -4.5383 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.751 |
| InChI Key: | BWCZXMNBZLCUFB-UHFFFAOYSA-N |