N-cyclopentyl-1-{[2-(2,5-difluoroanilino)-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-(2,5-difluoroanilino)-2-oxoethyl]sulfanyl}-4-methyl-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
N-cyclopentyl-1-{[2-(2,5-difluoroanilino)-2-oxoethyl]sulfanyl}-4-methyl-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
Compound characteristics
| Compound ID: | F472-0866 |
| Compound Name: | N-cyclopentyl-1-{[2-(2,5-difluoroanilino)-2-oxoethyl]sulfanyl}-4-methyl-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide |
| Molecular Weight: | 512.54 |
| Molecular Formula: | C24 H22 F2 N6 O3 S |
| Smiles: | CN1C(c2ccc(cc2n2c1nnc2SCC(Nc1cc(ccc1F)F)=O)C(NC1CCCC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8324 |
| logD: | 2.8243 |
| logSw: | -3.6308 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.305 |
| InChI Key: | JEFHOBAWZQYVHA-UHFFFAOYSA-N |