(6S)-N-[(2,3-dimethoxyphenyl)methyl]-4-oxo-6-phenyl-4,5,6,7-tetrahydro[1,2,3]triazolo[1,5-a]pyrazine-3-carboxamide
Chemical Structure Depiction of
(6S)-N-[(2,3-dimethoxyphenyl)methyl]-4-oxo-6-phenyl-4,5,6,7-tetrahydro[1,2,3]triazolo[1,5-a]pyrazine-3-carboxamide
(6S)-N-[(2,3-dimethoxyphenyl)methyl]-4-oxo-6-phenyl-4,5,6,7-tetrahydro[1,2,3]triazolo[1,5-a]pyrazine-3-carboxamide
Compound characteristics
| Compound ID: | SD69-0296 |
| Compound Name: | (6S)-N-[(2,3-dimethoxyphenyl)methyl]-4-oxo-6-phenyl-4,5,6,7-tetrahydro[1,2,3]triazolo[1,5-a]pyrazine-3-carboxamide |
| Molecular Weight: | 407.43 |
| Molecular Formula: | C21 H21 N5 O4 |
| Smiles: | COc1cccc(CNC(c2c3C(N[C@H](Cn3nn2)c2ccccc2)=O)=O)c1OC |
| Stereo: | ABSOLUTE |
| logP: | 1.6246 |
| logD: | 1.6245 |
| logSw: | -1.8189 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 91.336 |
| InChI Key: | JBQCKLHNWQNATE-OAHLLOKOSA-N |