N-(2H-1,3-benzodioxol-5-yl)-2-{[5-(4-methoxyphenyl)[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-(4-methoxyphenyl)[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl}propanamide
N-(2H-1,3-benzodioxol-5-yl)-2-{[5-(4-methoxyphenyl)[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl}propanamide
Compound characteristics
| Compound ID: | J084-0463 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-2-{[5-(4-methoxyphenyl)[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl}propanamide |
| Molecular Weight: | 499.55 |
| Molecular Formula: | C26 H21 N5 O4 S |
| Smiles: | CC(C(Nc1ccc2c(c1)OCO2)=O)Sc1nnc2c3ccccc3nc(c3ccc(cc3)OC)n12 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.1078 |
| logD: | 5.1029 |
| logSw: | -5.191 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.332 |
| InChI Key: | KGIFUNLRGMJDCF-HNNXBMFYSA-N |