N-[2-(3,4-diethoxyphenyl)ethyl]-10-[(2-fluorophenyl)methyl]-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
N-[2-(3,4-diethoxyphenyl)ethyl]-10-[(2-fluorophenyl)methyl]-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
N-[2-(3,4-diethoxyphenyl)ethyl]-10-[(2-fluorophenyl)methyl]-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | C529-0756 |
| Compound Name: | N-[2-(3,4-diethoxyphenyl)ethyl]-10-[(2-fluorophenyl)methyl]-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 586.68 |
| Molecular Formula: | C33 H31 F N2 O5 S |
| Smiles: | CCOc1ccc(CCNC(c2ccc3c(c2)N(Cc2ccccc2F)C(c2ccccc2S3=O)=O)=O)cc1OCC |
| Stereo: | ACHIRAL |
| logP: | 4.1873 |
| logD: | 4.1873 |
| logSw: | -4.1938 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.46 |
| InChI Key: | YDJRKCMEAWLTSJ-UHFFFAOYSA-N |