ethyl 10-[1-(3,4-dimethylanilino)-1-oxobutan-2-yl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxylate
Chemical Structure Depiction of
ethyl 10-[1-(3,4-dimethylanilino)-1-oxobutan-2-yl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxylate
ethyl 10-[1-(3,4-dimethylanilino)-1-oxobutan-2-yl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxylate
Compound characteristics
| Compound ID: | G599-0409 |
| Compound Name: | ethyl 10-[1-(3,4-dimethylanilino)-1-oxobutan-2-yl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxylate |
| Molecular Weight: | 488.61 |
| Molecular Formula: | C28 H28 N2 O4 S |
| Smiles: | CCC(C(Nc1ccc(C)c(C)c1)=O)N1C(c2ccccc2Sc2ccc(cc12)C(=O)OCC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.8296 |
| logD: | 6.8296 |
| logSw: | -5.5729 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.442 |
| InChI Key: | OLGQJUCMWHMKTI-QFIPXVFZSA-N |