N-(butan-2-yl)-3-[1,5-dioxo-2-(2-oxo-2-{[(thiophen-2-yl)methyl]amino}ethyl)-1,2-dihydro[1,2,4]triazolo[4,3-a]quinazolin-4(5H)-yl]propanamide
Chemical Structure Depiction of
N-(butan-2-yl)-3-[1,5-dioxo-2-(2-oxo-2-{[(thiophen-2-yl)methyl]amino}ethyl)-1,2-dihydro[1,2,4]triazolo[4,3-a]quinazolin-4(5H)-yl]propanamide
N-(butan-2-yl)-3-[1,5-dioxo-2-(2-oxo-2-{[(thiophen-2-yl)methyl]amino}ethyl)-1,2-dihydro[1,2,4]triazolo[4,3-a]quinazolin-4(5H)-yl]propanamide
Compound characteristics
| Compound ID: | L940-0121 |
| Compound Name: | N-(butan-2-yl)-3-[1,5-dioxo-2-(2-oxo-2-{[(thiophen-2-yl)methyl]amino}ethyl)-1,2-dihydro[1,2,4]triazolo[4,3-a]quinazolin-4(5H)-yl]propanamide |
| Molecular Weight: | 482.56 |
| Molecular Formula: | C23 H26 N6 O4 S |
| Smiles: | CCC(C)NC(CCN1C2=NN(CC(NCc3cccs3)=O)C(N2c2ccccc2C1=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.8987 |
| logD: | 1.8987 |
| logSw: | -2.7813 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 97.588 |
| InChI Key: | VQUPWIIDNOMIFO-HNNXBMFYSA-N |