N-(3-methoxyphenyl)-3-nitrodibenzo[b,f]oxepine-1-carboxamide
Chemical Structure Depiction of
N-(3-methoxyphenyl)-3-nitrodibenzo[b,f]oxepine-1-carboxamide
N-(3-methoxyphenyl)-3-nitrodibenzo[b,f]oxepine-1-carboxamide
Compound characteristics
Compound ID: | 8017-5005 |
Compound Name: | N-(3-methoxyphenyl)-3-nitrodibenzo[b,f]oxepine-1-carboxamide |
Molecular Weight: | 388.38 |
Molecular Formula: | C22 H16 N2 O5 |
Smiles: | COc1cccc(c1)NC(c1cc(cc2c1C=Cc1ccccc1O2)[N+]([O-])=O)=O |
Stereo: | ACHIRAL |
logP: | 4.9123 |
logD: | 4.9014 |
logSw: | -4.6812 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 71.399 |
InChI Key: | URXMNPFABBMTBG-UHFFFAOYSA-N |