N-[2-(3,4-dimethoxyphenyl)ethyl]-10-[(2-fluorophenyl)methyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
N-[2-(3,4-dimethoxyphenyl)ethyl]-10-[(2-fluorophenyl)methyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
N-[2-(3,4-dimethoxyphenyl)ethyl]-10-[(2-fluorophenyl)methyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | K788-3237 |
| Compound Name: | N-[2-(3,4-dimethoxyphenyl)ethyl]-10-[(2-fluorophenyl)methyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 542.63 |
| Molecular Formula: | C31 H27 F N2 O4 S |
| Smiles: | COc1ccc(CCNC(c2ccc3c(c2)N(Cc2ccccc2F)C(c2ccccc2S3)=O)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 5.4353 |
| logD: | 5.4353 |
| logSw: | -5.3149 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.916 |
| InChI Key: | KJFOBELFLIIGOZ-UHFFFAOYSA-N |