N-(4-butylphenyl)-7-chloro-9-methoxy-1-benzoxepine-4-carboxamide
Chemical Structure Depiction of
N-(4-butylphenyl)-7-chloro-9-methoxy-1-benzoxepine-4-carboxamide
N-(4-butylphenyl)-7-chloro-9-methoxy-1-benzoxepine-4-carboxamide
Compound characteristics
| Compound ID: | D443-0698 |
| Compound Name: | N-(4-butylphenyl)-7-chloro-9-methoxy-1-benzoxepine-4-carboxamide |
| Molecular Weight: | 383.87 |
| Molecular Formula: | C22 H22 Cl N O3 |
| Smiles: | CCCCc1ccc(cc1)NC(C1C=COc2c(C=1)cc(cc2OC)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 6.6349 |
| logD: | 6.6349 |
| logSw: | -6.3404 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 36.269 |
| InChI Key: | MJRDXXVCFVATID-UHFFFAOYSA-N |