2-[(7-chloro-5-oxo-4-propyl-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]-N-[(4-methylphenyl)methyl]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-[(4-methylphenyl)methyl]acetamide
2-[(7-chloro-5-oxo-4-propyl-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]-N-[(4-methylphenyl)methyl]acetamide
Compound characteristics
| Compound ID: | F367-0614 |
| Compound Name: | 2-[(7-chloro-5-oxo-4-propyl-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]-N-[(4-methylphenyl)methyl]acetamide |
| Molecular Weight: | 455.96 |
| Molecular Formula: | C22 H22 Cl N5 O2 S |
| Smiles: | CCCN1C(c2cc(ccc2n2c1nnc2SCC(NCc1ccc(C)cc1)=O)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.0946 |
| logD: | 4.0946 |
| logSw: | -4.4558 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.033 |
| InChI Key: | NNNGPBRTACINNJ-UHFFFAOYSA-N |