N-(2H-1,3-benzodioxol-5-yl)-2-[(5-phenyl[1,2,4]triazolo[4,3-c]quinazolin-3-yl)sulfanyl]propanamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-2-[(5-phenyl[1,2,4]triazolo[4,3-c]quinazolin-3-yl)sulfanyl]propanamide
N-(2H-1,3-benzodioxol-5-yl)-2-[(5-phenyl[1,2,4]triazolo[4,3-c]quinazolin-3-yl)sulfanyl]propanamide
Compound characteristics
| Compound ID: | J084-0295 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-2-[(5-phenyl[1,2,4]triazolo[4,3-c]quinazolin-3-yl)sulfanyl]propanamide |
| Molecular Weight: | 469.52 |
| Molecular Formula: | C25 H19 N5 O3 S |
| Smiles: | CC(C(Nc1ccc2c(c1)OCO2)=O)Sc1nnc2c3ccccc3nc(c3ccccc3)n12 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.0203 |
| logD: | 5.0125 |
| logSw: | -4.8795 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.788 |
| InChI Key: | ILJIRFLMINEMKA-HNNXBMFYSA-N |