N-(5-chloro-2-methoxyphenyl)-9,10-dimethoxy-4-oxo-1,3,4,6,7,11b-hexahydro-2H-pyrazino[2,1-a]isoquinoline-2-carbothioamide
Chemical Structure Depiction of
N-(5-chloro-2-methoxyphenyl)-9,10-dimethoxy-4-oxo-1,3,4,6,7,11b-hexahydro-2H-pyrazino[2,1-a]isoquinoline-2-carbothioamide
N-(5-chloro-2-methoxyphenyl)-9,10-dimethoxy-4-oxo-1,3,4,6,7,11b-hexahydro-2H-pyrazino[2,1-a]isoquinoline-2-carbothioamide
Compound characteristics
| Compound ID: | V018-9064 |
| Compound Name: | N-(5-chloro-2-methoxyphenyl)-9,10-dimethoxy-4-oxo-1,3,4,6,7,11b-hexahydro-2H-pyrazino[2,1-a]isoquinoline-2-carbothioamide |
| Molecular Weight: | 461.97 |
| Molecular Formula: | C22 H24 Cl N3 O4 S |
| Smiles: | COc1ccc(cc1NC(N1CC2c3cc(c(cc3CCN2C(C1)=O)OC)OC)=S)[Cl] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.0425 |
| logD: | 3.0424 |
| logSw: | -3.5427 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.438 |
| InChI Key: | IKSRTJNJTVCQBR-QGZVFWFLSA-N |