N-(5-acetyl-2-methoxyphenyl)-7-chloro-9-methoxy-1-benzoxepine-4-carboxamide
Chemical Structure Depiction of
N-(5-acetyl-2-methoxyphenyl)-7-chloro-9-methoxy-1-benzoxepine-4-carboxamide
N-(5-acetyl-2-methoxyphenyl)-7-chloro-9-methoxy-1-benzoxepine-4-carboxamide
Compound characteristics
Compound ID: | D443-0683 |
Compound Name: | N-(5-acetyl-2-methoxyphenyl)-7-chloro-9-methoxy-1-benzoxepine-4-carboxamide |
Molecular Weight: | 399.83 |
Molecular Formula: | C21 H18 Cl N O5 |
Smiles: | CC(c1ccc(c(c1)NC(C1C=COc2c(C=1)cc(cc2OC)[Cl])=O)OC)=O |
Stereo: | ACHIRAL |
logP: | 4.1818 |
logD: | 4.1748 |
logSw: | -4.511 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 57.028 |
InChI Key: | ZJDFAKALTYFGDK-UHFFFAOYSA-N |