methyl (3RS)-1-(2,5-dimethoxyphenyl)-2-{[2-(methoxycarbonyl)phenyl]carbamoyl}-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate
Chemical Structure Depiction of
methyl (3RS)-1-(2,5-dimethoxyphenyl)-2-{[2-(methoxycarbonyl)phenyl]carbamoyl}-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate
methyl (3RS)-1-(2,5-dimethoxyphenyl)-2-{[2-(methoxycarbonyl)phenyl]carbamoyl}-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate
Compound characteristics
| Compound ID: | Y042-7863 |
| Compound Name: | methyl (3RS)-1-(2,5-dimethoxyphenyl)-2-{[2-(methoxycarbonyl)phenyl]carbamoyl}-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate |
| Molecular Weight: | 543.58 |
| Molecular Formula: | C30 H29 N3 O7 |
| Smiles: | COC(c1ccccc1NC(N1C(c2cc(ccc2OC)OC)c2c(C[C@H]1C(=O)OC)c1ccccc1[nH]2)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.3335 |
| logD: | 5.3333 |
| logSw: | -5.6805 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 91.064 |
| InChI Key: | IYARIAGSNDUMRV-BXXZMZEQSA-N |