2-[4-(3-methyl[1,2,4]triazolo[4,3-c]quinazolin-5-yl)piperazine-1-sulfonyl]benzonitrile
Chemical Structure Depiction of
2-[4-(3-methyl[1,2,4]triazolo[4,3-c]quinazolin-5-yl)piperazine-1-sulfonyl]benzonitrile
2-[4-(3-methyl[1,2,4]triazolo[4,3-c]quinazolin-5-yl)piperazine-1-sulfonyl]benzonitrile
Compound characteristics
| Compound ID: | V020-6079 |
| Compound Name: | 2-[4-(3-methyl[1,2,4]triazolo[4,3-c]quinazolin-5-yl)piperazine-1-sulfonyl]benzonitrile |
| Molecular Weight: | 433.49 |
| Molecular Formula: | C21 H19 N7 O2 S |
| Smiles: | Cc1nnc2c3ccccc3nc(N3CCN(CC3)S(c3ccccc3C#N)(=O)=O)n12 |
| Stereo: | ACHIRAL |
| logP: | 2.2139 |
| logD: | 2.06 |
| logSw: | -2.7893 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 82.617 |
| InChI Key: | LQKBOCNPYWVNDK-UHFFFAOYSA-N |