N-(2H-1,3-benzodioxol-5-yl)-2-{[2-(3-nitrophenyl)[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-(3-nitrophenyl)[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl}butanamide
N-(2H-1,3-benzodioxol-5-yl)-2-{[2-(3-nitrophenyl)[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl}butanamide
Compound characteristics
| Compound ID: | K280-0218 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-2-{[2-(3-nitrophenyl)[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl}butanamide |
| Molecular Weight: | 528.55 |
| Molecular Formula: | C26 H20 N6 O5 S |
| Smiles: | CCC(C(Nc1ccc2c(c1)OCO2)=O)Sc1nc2ccccc2c2nc(c3cccc(c3)[N+]([O-])=O)nn12 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.8625 |
| logD: | 5.8618 |
| logSw: | -5.8076 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 103.657 |
| InChI Key: | QTYBRMLIPCIKQZ-QFIPXVFZSA-N |