10-[(3-chlorophenyl)methyl]-N-[2-(3,4-diethoxyphenyl)ethyl]-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
10-[(3-chlorophenyl)methyl]-N-[2-(3,4-diethoxyphenyl)ethyl]-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
10-[(3-chlorophenyl)methyl]-N-[2-(3,4-diethoxyphenyl)ethyl]-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | K788-8569 |
| Compound Name: | 10-[(3-chlorophenyl)methyl]-N-[2-(3,4-diethoxyphenyl)ethyl]-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 619.14 |
| Molecular Formula: | C33 H31 Cl N2 O6 S |
| Smiles: | CCOc1ccc(CCNC(c2ccc3c(c2)N(Cc2cccc(c2)[Cl])C(c2ccccc2S3(=O)=O)=O)=O)cc1OCC |
| Stereo: | ACHIRAL |
| logP: | 4.832 |
| logD: | 4.832 |
| logSw: | -4.7188 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.056 |
| InChI Key: | FKEBBSZFTDBFPK-UHFFFAOYSA-N |