(6S)-3-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-6-(propan-2-yl)-6,7-dihydro[1,2,3]triazolo[1,5-a]pyrazin-4(5H)-one
Chemical Structure Depiction of
(6S)-3-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-6-(propan-2-yl)-6,7-dihydro[1,2,3]triazolo[1,5-a]pyrazin-4(5H)-one
(6S)-3-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-6-(propan-2-yl)-6,7-dihydro[1,2,3]triazolo[1,5-a]pyrazin-4(5H)-one
Compound characteristics
| Compound ID: | SD69-0580 |
| Compound Name: | (6S)-3-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-6-(propan-2-yl)-6,7-dihydro[1,2,3]triazolo[1,5-a]pyrazin-4(5H)-one |
| Molecular Weight: | 396.49 |
| Molecular Formula: | C21 H28 N6 O2 |
| Smiles: | CC(C)[C@H]1Cn2c(C(N1)=O)c(C(N1CCN(CC1)c1cccc(C)c1C)=O)nn2 |
| Stereo: | ABSOLUTE |
| logP: | 2.2895 |
| logD: | 2.2895 |
| logSw: | -2.4708 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.454 |
| InChI Key: | VOQFCQFMQJMVHQ-MRXNPFEDSA-N |