3-(3,4-dihydroisoquinolin-2(1H)-yl)-2-(pyrrolidine-1-sulfonyl)dibenzo[b,f][1,4]oxazepin-11(10H)-one
Chemical Structure Depiction of
3-(3,4-dihydroisoquinolin-2(1H)-yl)-2-(pyrrolidine-1-sulfonyl)dibenzo[b,f][1,4]oxazepin-11(10H)-one
3-(3,4-dihydroisoquinolin-2(1H)-yl)-2-(pyrrolidine-1-sulfonyl)dibenzo[b,f][1,4]oxazepin-11(10H)-one
Compound characteristics
| Compound ID: | J030-0466 |
| Compound Name: | 3-(3,4-dihydroisoquinolin-2(1H)-yl)-2-(pyrrolidine-1-sulfonyl)dibenzo[b,f][1,4]oxazepin-11(10H)-one |
| Molecular Weight: | 475.57 |
| Molecular Formula: | C26 H25 N3 O4 S |
| Smiles: | C1CCN(C1)S(c1cc2C(Nc3ccccc3Oc2cc1N1CCc2ccccc2C1)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8326 |
| logD: | 4.7644 |
| logSw: | -4.7327 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.23 |
| InChI Key: | SZQPISOWVPPFCK-UHFFFAOYSA-N |