N-(4-methoxy-2-methylphenyl)-4-oxo-1,3,4,6,7,11b-hexahydro-2H-pyrazino[2,1-a]isoquinoline-2-carbothioamide
Chemical Structure Depiction of
N-(4-methoxy-2-methylphenyl)-4-oxo-1,3,4,6,7,11b-hexahydro-2H-pyrazino[2,1-a]isoquinoline-2-carbothioamide
N-(4-methoxy-2-methylphenyl)-4-oxo-1,3,4,6,7,11b-hexahydro-2H-pyrazino[2,1-a]isoquinoline-2-carbothioamide
Compound characteristics
| Compound ID: | V019-1876 |
| Compound Name: | N-(4-methoxy-2-methylphenyl)-4-oxo-1,3,4,6,7,11b-hexahydro-2H-pyrazino[2,1-a]isoquinoline-2-carbothioamide |
| Molecular Weight: | 381.5 |
| Molecular Formula: | C21 H23 N3 O2 S |
| Smiles: | Cc1cc(ccc1NC(N1CC2c3ccccc3CCN2C(C1)=O)=S)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7162 |
| logD: | 3.7162 |
| logSw: | -4.0014 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 34.091 |
| InChI Key: | GTYLMYLPWIDNFC-LJQANCHMSA-N |