7-(pyrrolidin-1-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepine
Chemical Structure Depiction of
7-(pyrrolidin-1-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepine
7-(pyrrolidin-1-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepine
Compound characteristics
| Compound ID: | S555-0255 |
| Compound Name: | 7-(pyrrolidin-1-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepine |
| Molecular Weight: | 218.3 |
| Molecular Formula: | C13 H18 N2 O |
| Smiles: | C1CCN(C1)c1ccc2c(CNCCO2)c1 |
| Stereo: | ACHIRAL |
| logP: | 2.0216 |
| logD: | -2.2581 |
| logSw: | -2.5164 |
| Hydrogen bond acceptors count: | 2 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 24.1515 |
| InChI Key: | KDIYKACWKDAHJS-UHFFFAOYSA-N |