N-[4-(difluoromethoxy)phenyl]-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-[4-(difluoromethoxy)phenyl]-9,10-dimethoxy-4-oxo-1,3,4,6,7,11b-hexahydro-2H-pyrazino[2,1-a]isoquinoline-2-carbothioamide
N-[4-(difluoromethoxy)phenyl]-9,10-dimethoxy-4-oxo-1,3,4,6,7,11b-hexahydro-2H-pyrazino[2,1-a]isoquinoline-2-carbothioamide
Compound characteristics
| Compound ID: | V012-3660 |
| Compound Name: | N-[4-(difluoromethoxy)phenyl]-9,10-dimethoxy-4-oxo-1,3,4,6,7,11b-hexahydro-2H-pyrazino[2,1-a]isoquinoline-2-carbothioamide |
| Molecular Weight: | 463.5 |
| Molecular Formula: | C22 H23 F2 N3 O4 S |
| Smiles: | COc1cc2CCN3C(CN(CC3=O)C(Nc3ccc(cc3)OC(F)F)=S)c2cc1OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.5312 |
| logD: | 2.5312 |
| logSw: | -3.1875 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.111 |
| InChI Key: | DVEXTDDDTJZYCU-QGZVFWFLSA-N |