N-[(2,4-dimethoxyphenyl)methyl]-10-ethyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
N-[(2,4-dimethoxyphenyl)methyl]-10-ethyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
N-[(2,4-dimethoxyphenyl)methyl]-10-ethyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
Compound ID: | K786-2644 |
Compound Name: | N-[(2,4-dimethoxyphenyl)methyl]-10-ethyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide |
Molecular Weight: | 448.54 |
Molecular Formula: | C25 H24 N2 O4 S |
Smiles: | CCN1C(c2ccccc2Sc2ccc(cc12)C(NCc1ccc(cc1OC)OC)=O)=O |
Stereo: | ACHIRAL |
logP: | 4.7618 |
logD: | 4.7618 |
logSw: | -4.4285 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 54.984 |
InChI Key: | DSESXTQWYPOZPP-UHFFFAOYSA-N |