N-(2,2-diethoxyethyl)-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-diethoxyethyl)-10-ethyl-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
N-(2,2-diethoxyethyl)-10-ethyl-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | C529-1891 |
| Compound Name: | N-(2,2-diethoxyethyl)-10-ethyl-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 430.52 |
| Molecular Formula: | C22 H26 N2 O5 S |
| Smiles: | CCN1C(c2ccccc2S(c2ccc(cc12)C(NCC(OCC)OCC)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.6706 |
| logD: | 1.6706 |
| logSw: | -2.755 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.12 |
| InChI Key: | VRDNUXGTMPJEFH-UHFFFAOYSA-N |