3-(3,4-dihydroisoquinolin-2(1H)-yl)-N-ethyl-N,8-dimethyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]oxazepine-2-sulfonamide
Chemical Structure Depiction of
3-(3,4-dihydroisoquinolin-2(1H)-yl)-N-ethyl-N,8-dimethyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]oxazepine-2-sulfonamide
3-(3,4-dihydroisoquinolin-2(1H)-yl)-N-ethyl-N,8-dimethyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]oxazepine-2-sulfonamide
Compound characteristics
| Compound ID: | J030-1152 |
| Compound Name: | 3-(3,4-dihydroisoquinolin-2(1H)-yl)-N-ethyl-N,8-dimethyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]oxazepine-2-sulfonamide |
| Molecular Weight: | 477.58 |
| Molecular Formula: | C26 H27 N3 O4 S |
| Smiles: | CCN(C)S(c1cc2C(Nc3cc(C)ccc3Oc2cc1N1CCc2ccccc2C1)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7773 |
| logD: | 4.7311 |
| logSw: | -4.3948 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.714 |
| InChI Key: | LIGYXYWCJWRBJJ-UHFFFAOYSA-N |