2-{4-[3-(4-methylphenyl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-1,4-diazepane-1-sulfonyl}benzonitrile
Chemical Structure Depiction of
2-{4-[3-(4-methylphenyl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-1,4-diazepane-1-sulfonyl}benzonitrile
2-{4-[3-(4-methylphenyl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-1,4-diazepane-1-sulfonyl}benzonitrile
Compound characteristics
| Compound ID: | V021-6128 |
| Compound Name: | 2-{4-[3-(4-methylphenyl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-1,4-diazepane-1-sulfonyl}benzonitrile |
| Molecular Weight: | 523.62 |
| Molecular Formula: | C28 H25 N7 O2 S |
| Salt: | not_available |
| Smiles: | Cc1ccc(cc1)c1nnc2c3ccccc3nc(N3CCCN(CC3)S(c3ccccc3C#N)(=O)=O)n12 |
| Stereo: | ACHIRAL |
| logP: | 4.8988 |
| logD: | 4.8377 |
| logSw: | -4.7452 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 81.899 |
| InChI Key: | DBSIBEZPZPHGSD-UHFFFAOYSA-N |