3-(3,4-dihydroisoquinolin-2(1H)-yl)-N-(2-methoxyethyl)-N-methyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]oxazepine-2-sulfonamide
Chemical Structure Depiction of
3-(3,4-dihydroisoquinolin-2(1H)-yl)-N-(2-methoxyethyl)-N-methyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]oxazepine-2-sulfonamide
3-(3,4-dihydroisoquinolin-2(1H)-yl)-N-(2-methoxyethyl)-N-methyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]oxazepine-2-sulfonamide
Compound characteristics
| Compound ID: | J030-0662 |
| Compound Name: | 3-(3,4-dihydroisoquinolin-2(1H)-yl)-N-(2-methoxyethyl)-N-methyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]oxazepine-2-sulfonamide |
| Molecular Weight: | 493.58 |
| Molecular Formula: | C26 H27 N3 O5 S |
| Smiles: | CN(CCOC)S(c1cc2C(Nc3ccccc3Oc2cc1N1CCc2ccccc2C1)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3485 |
| logD: | 4.2803 |
| logSw: | -4.2229 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.31 |
| InChI Key: | QLUXMEFWKDZSGZ-UHFFFAOYSA-N |