N-(4-butylphenyl)-1-benzoxepine-4-carboxamide
Chemical Structure Depiction of
N-(4-butylphenyl)-1-benzoxepine-4-carboxamide
N-(4-butylphenyl)-1-benzoxepine-4-carboxamide
Compound characteristics
| Compound ID: | D443-0123 |
| Compound Name: | N-(4-butylphenyl)-1-benzoxepine-4-carboxamide |
| Molecular Weight: | 319.4 |
| Molecular Formula: | C21 H21 N O2 |
| Smiles: | CCCCc1ccc(cc1)NC(C1C=COc2ccccc2C=1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.0501 |
| logD: | 6.0501 |
| logSw: | -5.5017 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 28.9542 |
| InChI Key: | VXMFOHOIZDGDTO-UHFFFAOYSA-N |