7-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]-4-(ethanesulfonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine
Chemical Structure Depiction of
7-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]-4-(ethanesulfonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine
7-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]-4-(ethanesulfonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine
Compound characteristics
| Compound ID: | T634-0907 |
| Compound Name: | 7-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]-4-(ethanesulfonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine |
| Molecular Weight: | 386.51 |
| Molecular Formula: | C21 H26 N2 O3 S |
| Smiles: | CCS(N1CCOc2ccc(CN3CCc4ccccc4C3)cc2C1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2199 |
| logD: | 2.7797 |
| logSw: | -3.2814 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 43.454 |
| InChI Key: | AZXQZHUETJHNPA-UHFFFAOYSA-N |