N-(2,2-diethoxyethyl)-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-(2,2-diethoxyethyl)-10-ethyl-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
N-(2,2-diethoxyethyl)-10-ethyl-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | C530-0307 |
| Compound Name: | N-(2,2-diethoxyethyl)-10-ethyl-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 446.52 |
| Molecular Formula: | C22 H26 N2 O6 S |
| Smiles: | CCN1C(c2ccccc2S(c2ccc(cc12)C(NCC(OCC)OCC)=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8002 |
| logD: | 1.8002 |
| logSw: | -2.7585 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.716 |
| InChI Key: | FSLMPSCKRIAPIH-UHFFFAOYSA-N |