N-[2-(3,4-diethoxyphenyl)ethyl]-10-[(3-fluorophenyl)methyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
N-[2-(3,4-diethoxyphenyl)ethyl]-10-[(3-fluorophenyl)methyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
N-[2-(3,4-diethoxyphenyl)ethyl]-10-[(3-fluorophenyl)methyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | K788-4576 |
| Compound Name: | N-[2-(3,4-diethoxyphenyl)ethyl]-10-[(3-fluorophenyl)methyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 570.68 |
| Molecular Formula: | C33 H31 F N2 O4 S |
| Smiles: | CCOc1ccc(CCNC(c2ccc3c(c2)N(Cc2cccc(c2)F)C(c2ccccc2S3)=O)=O)cc1OCC |
| Stereo: | ACHIRAL |
| logP: | 5.9083 |
| logD: | 5.9083 |
| logSw: | -5.4706 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.076 |
| InChI Key: | LQGBQHLTVKTPOB-UHFFFAOYSA-N |