2-{4-[3-(2-chlorophenyl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]piperazine-1-sulfonyl}benzonitrile
Chemical Structure Depiction of
2-{4-[3-(2-chlorophenyl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]piperazine-1-sulfonyl}benzonitrile
2-{4-[3-(2-chlorophenyl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]piperazine-1-sulfonyl}benzonitrile
Compound characteristics
| Compound ID: | V021-6187 |
| Compound Name: | 2-{4-[3-(2-chlorophenyl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]piperazine-1-sulfonyl}benzonitrile |
| Molecular Weight: | 530.01 |
| Molecular Formula: | C26 H20 Cl N7 O2 S |
| Salt: | not_available |
| Smiles: | C1CN(CCN1c1nc2ccccc2c2nnc(c3ccccc3[Cl])n12)S(c1ccccc1C#N)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.482 |
| logD: | 4.4168 |
| logSw: | -4.6475 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 81.568 |
| InChI Key: | DVKWBYSBAIVREJ-UHFFFAOYSA-N |