7-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]-4-(1-methyl-1H-imidazole-4-sulfonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine
Chemical Structure Depiction of
7-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]-4-(1-methyl-1H-imidazole-4-sulfonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine
7-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]-4-(1-methyl-1H-imidazole-4-sulfonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine
Compound characteristics
| Compound ID: | T634-0898 |
| Compound Name: | 7-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]-4-(1-methyl-1H-imidazole-4-sulfonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine |
| Molecular Weight: | 438.55 |
| Molecular Formula: | C23 H26 N4 O3 S |
| Smiles: | Cn1cc(nc1)S(N1CCOc2ccc(CN3CCc4ccccc4C3)cc2C1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6829 |
| logD: | 2.2427 |
| logSw: | -2.8176 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 55.699 |
| InChI Key: | FKSNQNMQMZIZLE-UHFFFAOYSA-N |