3-hydroxy-1-phenyl-3-(thiophen-2-yl)-2,5,6,7,8,9-hexahydro-3H-imidazo[1,2-a]azepin-1-ium
Chemical Structure Depiction of
3-hydroxy-1-phenyl-3-(thiophen-2-yl)-2,5,6,7,8,9-hexahydro-3H-imidazo[1,2-a]azepin-1-ium
3-hydroxy-1-phenyl-3-(thiophen-2-yl)-2,5,6,7,8,9-hexahydro-3H-imidazo[1,2-a]azepin-1-ium
Compound characteristics
| Compound ID: | K404-0820 |
| Compound Name: | 3-hydroxy-1-phenyl-3-(thiophen-2-yl)-2,5,6,7,8,9-hexahydro-3H-imidazo[1,2-a]azepin-1-ium |
| Molecular Weight: | 393.34 |
| Molecular Formula: | C18 H21 N2 O S |
| Salt: | Br- |
| Smiles: | C1CCC2N(CC1)C(C[N+]=2c1ccccc1)(c1cccs1)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.905 |
| logD: | 3.905 |
| logSw: | -3.9247 |
| Hydrogen bond acceptors count: | 1 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 24.1599 |
| InChI Key: | NCMSWOIXDAJWOR-SFHVURJKSA-N |