7-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine--hydrogen chloride (1/2)
Chemical Structure Depiction of
7-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine--hydrogen chloride (1/2)
7-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine--hydrogen chloride (1/2)
Compound characteristics
| Compound ID: | T634-0155 |
| Compound Name: | 7-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine--hydrogen chloride (1/2) |
| Molecular Weight: | 367.32 |
| Molecular Formula: | C19 H22 N2 O |
| Salt: | 2HCl |
| Smiles: | C1CN(Cc2ccc3c(CNCCO3)c2)Cc2ccccc12 |
| Stereo: | ACHIRAL |
| logP: | 2.9431 |
| logD: | 0.7284 |
| logSw: | -3.0945 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 23.7275 |
| InChI Key: | ZHVLCFHYQCYCBJ-UHFFFAOYSA-N |