N-(2,2-diethoxyethyl)-11-propyldibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
N-(2,2-diethoxyethyl)-11-propyldibenzo[b,f][1,4]thiazepine-8-carboxamide
N-(2,2-diethoxyethyl)-11-propyldibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | C304-4800 |
| Compound Name: | N-(2,2-diethoxyethyl)-11-propyldibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 412.55 |
| Molecular Formula: | C23 H28 N2 O3 S |
| Smiles: | CCCC1c2ccccc2Sc2ccc(cc2N=1)C(NCC(OCC)OCC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4085 |
| logD: | 4.4083 |
| logSw: | -4.2792 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.569 |
| InChI Key: | LCQXJAKAWYBNAS-UHFFFAOYSA-N |