2-[(7-chloro-5-oxo-4-propyl-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]-N-(3,4-dimethoxyphenyl)acetamide
Chemical Structure Depiction of
2-[(7-chloro-5-oxo-4-propyl-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]-N-(3,4-dimethoxyphenyl)acetamide
2-[(7-chloro-5-oxo-4-propyl-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]-N-(3,4-dimethoxyphenyl)acetamide
Compound characteristics
| Compound ID: | F367-0631 |
| Compound Name: | 2-[(7-chloro-5-oxo-4-propyl-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]-N-(3,4-dimethoxyphenyl)acetamide |
| Molecular Weight: | 487.96 |
| Molecular Formula: | C22 H22 Cl N5 O4 S |
| Smiles: | CCCN1C(c2cc(ccc2n2c1nnc2SCC(Nc1ccc(c(c1)OC)OC)=O)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 3.5249 |
| logD: | 3.5248 |
| logSw: | -3.9067 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.972 |
| InChI Key: | NVCNPKGZPIZIMM-UHFFFAOYSA-N |