rel-(5aR,9aR)-1-[(pyridin-3-yl)methyl]decahydropyrido[3,4-e][1,4]oxazepine--hydrogen chloride (1/2)
Chemical Structure Depiction of
rel-(5aR,9aR)-1-[(pyridin-3-yl)methyl]decahydropyrido[3,4-e][1,4]oxazepine--hydrogen chloride (1/2)
rel-(5aR,9aR)-1-[(pyridin-3-yl)methyl]decahydropyrido[3,4-e][1,4]oxazepine--hydrogen chloride (1/2)
Compound characteristics
| Compound ID: | S232-1525 |
| Compound Name: | rel-(5aR,9aR)-1-[(pyridin-3-yl)methyl]decahydropyrido[3,4-e][1,4]oxazepine--hydrogen chloride (1/2) |
| Molecular Weight: | 320.26 |
| Molecular Formula: | C14 H21 N3 O |
| Salt: | 2HCl |
| Smiles: | C1CNC[C@@H]2[C@H]1COCCN2Cc1cccnc1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | -0.4347 |
| logD: | -2.6973 |
| logSw: | -0.7599 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 33.494 |
| InChI Key: | BXQPBDDPSUEGMU-KBPBESRZSA-N |