N-(4-bromo-2-fluorophenyl)-2-[(4-methyl-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-(4-bromo-2-fluorophenyl)-2-[(4-methyl-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]acetamide
N-(4-bromo-2-fluorophenyl)-2-[(4-methyl-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | Y504-5443 |
| Compound Name: | N-(4-bromo-2-fluorophenyl)-2-[(4-methyl-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]acetamide |
| Molecular Weight: | 462.3 |
| Molecular Formula: | C18 H13 Br F N5 O2 S |
| Smiles: | CN1C(c2ccccc2n2c1nnc2SCC(Nc1ccc(cc1F)[Br])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6589 |
| logD: | 2.6522 |
| logSw: | -3.4911 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.801 |
| InChI Key: | PUWQLFLOSSTFDB-UHFFFAOYSA-N |