N-[(4-chlorophenyl)methyl]-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-[(4-chlorophenyl)methyl]-2-[(7-fluoro-5-oxo-4-propyl-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]acetamide
N-[(4-chlorophenyl)methyl]-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: | F367-0670 |
| Compound Name: | N-[(4-chlorophenyl)methyl]-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(NCc1ccc(cc1)[Cl])=O)F)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8106 |
| logD: | 3.8106 |
| logSw: | -4.275 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.033 |
| InChI Key: | YUNPJPKBGIRNIV-UHFFFAOYSA-N |