N-benzyl-11-oxo-10-(prop-2-en-1-yl)-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
N-benzyl-11-oxo-10-(prop-2-en-1-yl)-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
N-benzyl-11-oxo-10-(prop-2-en-1-yl)-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | K784-7760 |
| Compound Name: | N-benzyl-11-oxo-10-(prop-2-en-1-yl)-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 400.5 |
| Molecular Formula: | C24 H20 N2 O2 S |
| Smiles: | C=CCN1C(c2ccccc2Sc2ccc(cc12)C(NCc1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7281 |
| logD: | 4.7281 |
| logSw: | -4.7749 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.064 |
| InChI Key: | DIPWMGSCCJOTNT-UHFFFAOYSA-N |