N-{3-[bis(2-methylpropyl)amino]propyl}-10-ethyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
N-{3-[bis(2-methylpropyl)amino]propyl}-10-ethyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
N-{3-[bis(2-methylpropyl)amino]propyl}-10-ethyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | K786-2666 |
| Compound Name: | N-{3-[bis(2-methylpropyl)amino]propyl}-10-ethyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 467.67 |
| Molecular Formula: | C27 H37 N3 O2 S |
| Smiles: | CCN1C(c2ccccc2Sc2ccc(cc12)C(NCCCN(CC(C)C)CC(C)C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5163 |
| logD: | 2.7209 |
| logSw: | -5.2067 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.885 |
| InChI Key: | DKOZHAYUIXJEPE-UHFFFAOYSA-N |