N-[2-(3,4-diethoxyphenyl)ethyl]-10-ethyl-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-ethyl-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
N-[2-(3,4-diethoxyphenyl)ethyl]-10-ethyl-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | C529-1944 |
| Compound Name: | N-[2-(3,4-diethoxyphenyl)ethyl]-10-ethyl-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 506.62 |
| Molecular Formula: | C28 H30 N2 O5 S |
| Smiles: | CCN1C(c2ccccc2S(c2ccc(cc12)C(NCCc1ccc(c(c1)OCC)OCC)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7449 |
| logD: | 2.7449 |
| logSw: | -3.569 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.456 |
| InChI Key: | QWWNSVVPAOOUIJ-UHFFFAOYSA-N |