7-[(azepan-1-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine
Chemical Structure Depiction of
7-[(azepan-1-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine
7-[(azepan-1-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine
Compound characteristics
| Compound ID: | T634-0153 |
| Compound Name: | 7-[(azepan-1-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine |
| Molecular Weight: | 333.3 |
| Molecular Formula: | C16 H24 N2 O |
| Salt: | 2HCl |
| Smiles: | C1CCCN(CC1)Cc1ccc2c(CNCCO2)c1 |
| Stereo: | ACHIRAL |
| logP: | 2.4661 |
| logD: | 0.2513 |
| logSw: | -2.7277 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 24.3966 |
| InChI Key: | XHIHECKJZOJDEE-UHFFFAOYSA-N |