3-[1-{[2-(cyclohexylamino)-2-oxoethyl]sulfanyl}-5-oxo[1,2,4]triazolo[4,3-a]quinazolin-4(5H)-yl]-N-cyclopentylpropanamide
Chemical Structure Depiction of
3-[1-{[2-(cyclohexylamino)-2-oxoethyl]sulfanyl}-5-oxo[1,2,4]triazolo[4,3-a]quinazolin-4(5H)-yl]-N-cyclopentylpropanamide
3-[1-{[2-(cyclohexylamino)-2-oxoethyl]sulfanyl}-5-oxo[1,2,4]triazolo[4,3-a]quinazolin-4(5H)-yl]-N-cyclopentylpropanamide
Compound characteristics
| Compound ID: | L942-0116 |
| Compound Name: | 3-[1-{[2-(cyclohexylamino)-2-oxoethyl]sulfanyl}-5-oxo[1,2,4]triazolo[4,3-a]quinazolin-4(5H)-yl]-N-cyclopentylpropanamide |
| Molecular Weight: | 496.63 |
| Molecular Formula: | C25 H32 N6 O3 S |
| Smiles: | C1CCC(CC1)NC(CSc1nnc2N(CCC(NC3CCCC3)=O)C(c3ccccc3n12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8225 |
| logD: | 2.8225 |
| logSw: | -3.6564 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 88.05 |
| InChI Key: | UTPOMDWSYSGZHD-UHFFFAOYSA-N |