N-(2,3-dimethylcyclohexyl)-11-oxo-10-(prop-2-en-1-yl)-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
N-(2,3-dimethylcyclohexyl)-11-oxo-10-(prop-2-en-1-yl)-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
N-(2,3-dimethylcyclohexyl)-11-oxo-10-(prop-2-en-1-yl)-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | K788-1719 |
| Compound Name: | N-(2,3-dimethylcyclohexyl)-11-oxo-10-(prop-2-en-1-yl)-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 420.57 |
| Molecular Formula: | C25 H28 N2 O2 S |
| Smiles: | CC1CCCC(C1C)NC(c1ccc2c(c1)N(CC=C)C(c1ccccc1S2)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.1533 |
| logD: | 5.1533 |
| logSw: | -4.8016 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.179 |
| InChI Key: | GXWQLRVXUJNMQV-UHFFFAOYSA-N |