3-(3,4-dihydroisoquinolin-2(1H)-yl)-8-methyl-2-(4-methylpiperidine-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-(4-methylpiperidine-1-sulfonyl)dibenzo[b,f][1,4]oxazepin-11(10H)-one
3-(3,4-dihydroisoquinolin-2(1H)-yl)-8-methyl-2-(4-methylpiperidine-1-sulfonyl)dibenzo[b,f][1,4]oxazepin-11(10H)-one
Compound characteristics
| Compound ID: | J030-1005 |
| Compound Name: | 3-(3,4-dihydroisoquinolin-2(1H)-yl)-8-methyl-2-(4-methylpiperidine-1-sulfonyl)dibenzo[b,f][1,4]oxazepin-11(10H)-one |
| Molecular Weight: | 517.65 |
| Molecular Formula: | C29 H31 N3 O4 S |
| Smiles: | CC1CCN(CC1)S(c1cc2C(Nc3cc(C)ccc3Oc2cc1N1CCc2ccccc2C1)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.721 |
| logD: | 5.6749 |
| logSw: | -5.4257 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.864 |
| InChI Key: | JFMNDWMFNRLCTE-UHFFFAOYSA-N |