N-benzyl-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-benzyl-2-[(7-chloro-5-oxo-4-propyl-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]acetamide
N-benzyl-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: | F367-0603 |
| Compound Name: | N-benzyl-2-[(7-chloro-5-oxo-4-propyl-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]acetamide |
| Molecular Weight: | 441.94 |
| Molecular Formula: | C21 H20 Cl N5 O2 S |
| Smiles: | CCCN1C(c2cc(ccc2n2c1nnc2SCC(NCc1ccccc1)=O)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 3.6713 |
| logD: | 3.6713 |
| logSw: | -4.0541 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.033 |
| InChI Key: | HRKINQFVEBDXMG-UHFFFAOYSA-N |