N-cyclopentyl-1-{[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl}-4-methyl-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
Chemical Structure Depiction of
N-cyclopentyl-1-{[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl}-4-methyl-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
N-cyclopentyl-1-{[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl}-4-methyl-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
Compound characteristics
| Compound ID: | F472-0860 |
| Compound Name: | N-cyclopentyl-1-{[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl}-4-methyl-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide |
| Molecular Weight: | 494.55 |
| Molecular Formula: | C24 H23 F N6 O3 S |
| Smiles: | CN1C(c2ccc(cc2n2c1nnc2SCC(Nc1ccccc1F)=O)C(NC1CCCC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4452 |
| logD: | 2.4451 |
| logSw: | -3.1959 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.305 |
| InChI Key: | JABDEWYWTUZEMN-UHFFFAOYSA-N |