3-(3,4-dihydroisoquinolin-2(1H)-yl)-8-methyl-2-(pyrrolidine-1-sulfonyl)dibenzo[b,f][1,4]oxazepin-11(10H)-one
Chemical Structure Depiction of
3-(3,4-dihydroisoquinolin-2(1H)-yl)-8-methyl-2-(pyrrolidine-1-sulfonyl)dibenzo[b,f][1,4]oxazepin-11(10H)-one
3-(3,4-dihydroisoquinolin-2(1H)-yl)-8-methyl-2-(pyrrolidine-1-sulfonyl)dibenzo[b,f][1,4]oxazepin-11(10H)-one
Compound characteristics
| Compound ID: | J030-0907 |
| Compound Name: | 3-(3,4-dihydroisoquinolin-2(1H)-yl)-8-methyl-2-(pyrrolidine-1-sulfonyl)dibenzo[b,f][1,4]oxazepin-11(10H)-one |
| Molecular Weight: | 489.59 |
| Molecular Formula: | C27 H27 N3 O4 S |
| Smiles: | Cc1ccc2c(c1)NC(c1cc(c(cc1O2)N1CCc2ccccc2C1)S(N1CCCC1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9165 |
| logD: | 4.8703 |
| logSw: | -4.5463 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.23 |
| InChI Key: | IMSLFQSISPUHGC-UHFFFAOYSA-N |