ethyl 4-[(9,10-dimethoxy-4-oxo-1,3,4,6,7,11b-hexahydro-2H-pyrazino[2,1-a]isoquinoline-2-carbothioyl)amino]benzoate
Chemical Structure Depiction of
ethyl 4-[(9,10-dimethoxy-4-oxo-1,3,4,6,7,11b-hexahydro-2H-pyrazino[2,1-a]isoquinoline-2-carbothioyl)amino]benzoate
ethyl 4-[(9,10-dimethoxy-4-oxo-1,3,4,6,7,11b-hexahydro-2H-pyrazino[2,1-a]isoquinoline-2-carbothioyl)amino]benzoate
Compound characteristics
| Compound ID: | V006-0111 |
| Compound Name: | ethyl 4-[(9,10-dimethoxy-4-oxo-1,3,4,6,7,11b-hexahydro-2H-pyrazino[2,1-a]isoquinoline-2-carbothioyl)amino]benzoate |
| Molecular Weight: | 469.56 |
| Molecular Formula: | C24 H27 N3 O5 S |
| Smiles: | CCOC(c1ccc(cc1)NC(N1CC2c3cc(c(cc3CCN2C(C1)=O)OC)OC)=S)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.0473 |
| logD: | 3.0473 |
| logSw: | -3.5696 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.259 |
| InChI Key: | XVFHQBUWMMNTDG-IBGZPJMESA-N |