N-(2-chloro-5-methoxyphenyl)-1-benzoxepine-4-carboxamide
Chemical Structure Depiction of
N-(2-chloro-5-methoxyphenyl)-1-benzoxepine-4-carboxamide
N-(2-chloro-5-methoxyphenyl)-1-benzoxepine-4-carboxamide
Compound characteristics
| Compound ID: | D443-0030 |
| Compound Name: | N-(2-chloro-5-methoxyphenyl)-1-benzoxepine-4-carboxamide |
| Molecular Weight: | 327.77 |
| Molecular Formula: | C18 H14 Cl N O3 |
| Smiles: | COc1ccc(c(c1)NC(C1C=COc2ccccc2C=1)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.5672 |
| logD: | 4.5637 |
| logSw: | -4.609 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 35.8 |
| InChI Key: | FFAXJXTWWQQFME-UHFFFAOYSA-N |