2-[4-(3-cyclohexyl[1,2,4]triazolo[4,3-c]quinazolin-5-yl)-1,4-diazepane-1-sulfonyl]benzonitrile
Chemical Structure Depiction of
2-[4-(3-cyclohexyl[1,2,4]triazolo[4,3-c]quinazolin-5-yl)-1,4-diazepane-1-sulfonyl]benzonitrile
2-[4-(3-cyclohexyl[1,2,4]triazolo[4,3-c]quinazolin-5-yl)-1,4-diazepane-1-sulfonyl]benzonitrile
Compound characteristics
| Compound ID: | V024-1797 |
| Compound Name: | 2-[4-(3-cyclohexyl[1,2,4]triazolo[4,3-c]quinazolin-5-yl)-1,4-diazepane-1-sulfonyl]benzonitrile |
| Molecular Weight: | 515.64 |
| Molecular Formula: | C27 H29 N7 O2 S |
| Salt: | not_available |
| Smiles: | C1CCC(CC1)c1nnc2c3ccccc3nc(N3CCCN(CC3)S(c3ccccc3C#N)(=O)=O)n12 |
| Stereo: | ACHIRAL |
| logP: | 4.6874 |
| logD: | 4.6872 |
| logSw: | -4.7072 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 82.091 |
| InChI Key: | YBSDUSLTKYLAIQ-UHFFFAOYSA-N |