3-(4-methoxyphenyl)-1-(2-{[5-methyl-2-(propan-2-yl)cyclohexyl]oxy}-2-oxoethyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-1-ium--chloride (1/1)
Chemical Structure Depiction of
3-(4-methoxyphenyl)-1-(2-{[5-methyl-2-(propan-2-yl)cyclohexyl]oxy}-2-oxoethyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-1-ium--chloride (1/1)
3-(4-methoxyphenyl)-1-(2-{[5-methyl-2-(propan-2-yl)cyclohexyl]oxy}-2-oxoethyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-1-ium--chloride (1/1)
Compound characteristics
| Compound ID: | 1185-0200 |
| Compound Name: | 3-(4-methoxyphenyl)-1-(2-{[5-methyl-2-(propan-2-yl)cyclohexyl]oxy}-2-oxoethyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-1-ium--chloride (1/1) |
| Molecular Weight: | 475.07 |
| Molecular Formula: | C27 H39 N2 O3 |
| Salt: | Cl- |
| Smiles: | CC1CCC(C(C)C)C(C1)OC(C[n+]1cc(c2ccc(cc2)OC)n2CCCCCc12)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.5795 |
| logD: | 6.5795 |
| logSw: | -5.3735 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 30.9417 |
| InChI Key: | QPNKEIUKHMGPED-UHFFFAOYSA-N |