N-(2-chloro-4-methylphenyl)-2-[(7-fluoro-5-oxo-4-propyl-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-(2-chloro-4-methylphenyl)-2-[(7-fluoro-5-oxo-4-propyl-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]acetamide
N-(2-chloro-4-methylphenyl)-2-[(7-fluoro-5-oxo-4-propyl-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | F367-0661 |
| Compound Name: | N-(2-chloro-4-methylphenyl)-2-[(7-fluoro-5-oxo-4-propyl-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]acetamide |
| Molecular Weight: | 459.93 |
| Molecular Formula: | C21 H19 Cl F N5 O2 S |
| Smiles: | CCCN1C(c2cc(ccc2n2c1nnc2SCC(Nc1ccc(C)cc1[Cl])=O)F)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2584 |
| logD: | 4.2582 |
| logSw: | -4.4193 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.014 |
| InChI Key: | DYTKKWQBTRLQBD-UHFFFAOYSA-N |