methyl 4-[(12aRS)-2-(2-methylpropyl)-1,4-dioxo-1,2,3,4,6,7,12,12a-octahydropyrazino[1',2':1,6]pyrido[3,4-b]indol-6-yl]benzoate
Chemical Structure Depiction of
methyl 4-[(12aRS)-2-(2-methylpropyl)-1,4-dioxo-1,2,3,4,6,7,12,12a-octahydropyrazino[1',2':1,6]pyrido[3,4-b]indol-6-yl]benzoate
methyl 4-[(12aRS)-2-(2-methylpropyl)-1,4-dioxo-1,2,3,4,6,7,12,12a-octahydropyrazino[1',2':1,6]pyrido[3,4-b]indol-6-yl]benzoate
Compound characteristics
| Compound ID: | Y042-8032 |
| Compound Name: | methyl 4-[(12aRS)-2-(2-methylpropyl)-1,4-dioxo-1,2,3,4,6,7,12,12a-octahydropyrazino[1',2':1,6]pyrido[3,4-b]indol-6-yl]benzoate |
| Molecular Weight: | 445.52 |
| Molecular Formula: | C26 H27 N3 O4 |
| Smiles: | CC(C)CN1CC(N2C(c3ccc(cc3)C(=O)OC)c3c(C[C@H]2C1=O)c1ccccc1[nH]3)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.7942 |
| logD: | 3.7942 |
| logSw: | -4.3379 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.944 |
| InChI Key: | OTFJMEARBNXNJZ-XEGCMXMBSA-N |