N-(2H-1,3-benzodioxol-5-yl)-2-[(7-chloro-5-oxo-4-propyl-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-2-[(7-chloro-5-oxo-4-propyl-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]acetamide
N-(2H-1,3-benzodioxol-5-yl)-2-[(7-chloro-5-oxo-4-propyl-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | F367-0637 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-2-[(7-chloro-5-oxo-4-propyl-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]acetamide |
| Molecular Weight: | 471.92 |
| Molecular Formula: | C21 H18 Cl N5 O4 S |
| Smiles: | CCCN1C(c2cc(ccc2n2c1nnc2SCC(Nc1ccc2c(c1)OCO2)=O)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 3.8231 |
| logD: | 3.823 |
| logSw: | -4.2468 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.827 |
| InChI Key: | MMDDMQAZUAPGME-UHFFFAOYSA-N |