N-(2,2-dimethoxyethyl)-10-ethyl-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
N-(2,2-dimethoxyethyl)-10-ethyl-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
N-(2,2-dimethoxyethyl)-10-ethyl-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | C529-1914 |
| Compound Name: | N-(2,2-dimethoxyethyl)-10-ethyl-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 402.47 |
| Molecular Formula: | C20 H22 N2 O5 S |
| Smiles: | CCN1C(c2ccccc2S(c2ccc(cc12)C(NCC(OC)OC)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.8517 |
| logD: | 0.8517 |
| logSw: | -2.4854 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.96 |
| InChI Key: | CMIIOOZWBYXRCL-UHFFFAOYSA-N |