methyl 1-(2H-1,3-benzodioxol-5-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate--hydrogen chloride (1/1)
Chemical Structure Depiction of
methyl 1-(2H-1,3-benzodioxol-5-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate--hydrogen chloride (1/1)
methyl 1-(2H-1,3-benzodioxol-5-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | Y510-2156 |
| Compound Name: | methyl 1-(2H-1,3-benzodioxol-5-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate--hydrogen chloride (1/1) |
| Molecular Weight: | 386.83 |
| Molecular Formula: | C20 H18 N2 O4 |
| Salt: | HCl |
| Smiles: | COC(C1Cc2c3ccccc3[nH]c2C(c2ccc3c(c2)OCO3)N1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.0256 |
| logD: | 2.938 |
| logSw: | -3.3649 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 61.089 |
| InChI Key: | LIPVUDSNGRJSQE-UHFFFAOYSA-N |