2-{4-[3-(4-methylphenyl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]piperazine-1-sulfonyl}benzonitrile
Chemical Structure Depiction of
2-{4-[3-(4-methylphenyl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]piperazine-1-sulfonyl}benzonitrile
2-{4-[3-(4-methylphenyl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]piperazine-1-sulfonyl}benzonitrile
Compound characteristics
| Compound ID: | V014-8725 |
| Compound Name: | 2-{4-[3-(4-methylphenyl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]piperazine-1-sulfonyl}benzonitrile |
| Molecular Weight: | 509.59 |
| Molecular Formula: | C27 H23 N7 O2 S |
| Salt: | not_available |
| Smiles: | Cc1ccc(cc1)c1nnc2c3ccccc3nc(N3CCN(CC3)S(c3ccccc3C#N)(=O)=O)n12 |
| Stereo: | ACHIRAL |
| logP: | 4.6737 |
| logD: | 4.6126 |
| logSw: | -4.4268 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 81.568 |
| InChI Key: | IQAOAEPFMAFZCE-UHFFFAOYSA-N |