N-[2-(3,4-dimethoxyphenyl)ethyl]-10-ethyl-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
N-[2-(3,4-dimethoxyphenyl)ethyl]-10-ethyl-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
N-[2-(3,4-dimethoxyphenyl)ethyl]-10-ethyl-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | C530-0320 |
| Compound Name: | N-[2-(3,4-dimethoxyphenyl)ethyl]-10-ethyl-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 494.57 |
| Molecular Formula: | C26 H26 N2 O6 S |
| Smiles: | CCN1C(c2ccccc2S(c2ccc(cc12)C(NCCc1ccc(c(c1)OC)OC)=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3833 |
| logD: | 2.3833 |
| logSw: | -2.9733 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.893 |
| InChI Key: | IZCAHUWJFVEZQC-UHFFFAOYSA-N |