N-(2H-1,3-benzodioxol-5-yl)-2-({2-[2-(1H-indol-3-yl)ethyl][1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)butanamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-2-({2-[2-(1H-indol-3-yl)ethyl][1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)butanamide
N-(2H-1,3-benzodioxol-5-yl)-2-({2-[2-(1H-indol-3-yl)ethyl][1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)butanamide
Compound characteristics
| Compound ID: | K280-0054 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-2-({2-[2-(1H-indol-3-yl)ethyl][1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)butanamide |
| Molecular Weight: | 550.64 |
| Molecular Formula: | C30 H26 N6 O3 S |
| Smiles: | CCC(C(Nc1ccc2c(c1)OCO2)=O)Sc1nc2ccccc2c2nc(CCc3c[nH]c4ccccc34)nn12 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.2313 |
| logD: | 6.2103 |
| logSw: | -5.7169 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.136 |
| InChI Key: | YSLOHVZLRSIDLI-SANMLTNESA-N |