3-{2-[2-(cyclohexylamino)-2-oxoethyl]-1,5-dioxo-1,2-dihydro[1,2,4]triazolo[4,3-a]quinazolin-4(5H)-yl}-N-cyclopentylpropanamide
Chemical Structure Depiction of
3-{2-[2-(cyclohexylamino)-2-oxoethyl]-1,5-dioxo-1,2-dihydro[1,2,4]triazolo[4,3-a]quinazolin-4(5H)-yl}-N-cyclopentylpropanamide
3-{2-[2-(cyclohexylamino)-2-oxoethyl]-1,5-dioxo-1,2-dihydro[1,2,4]triazolo[4,3-a]quinazolin-4(5H)-yl}-N-cyclopentylpropanamide
Compound characteristics
| Compound ID: | L940-0139 |
| Compound Name: | 3-{2-[2-(cyclohexylamino)-2-oxoethyl]-1,5-dioxo-1,2-dihydro[1,2,4]triazolo[4,3-a]quinazolin-4(5H)-yl}-N-cyclopentylpropanamide |
| Molecular Weight: | 480.57 |
| Molecular Formula: | C25 H32 N6 O4 |
| Smiles: | C1CCC(CC1)NC(CN1C(N2C(=N1)N(CCC(NC1CCCC1)=O)C(c1ccccc12)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4383 |
| logD: | 2.4383 |
| logSw: | -2.973 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 96.673 |
| InChI Key: | PKAAFSKVNZHSSD-UHFFFAOYSA-N |