N-(butan-2-yl)-3-[2-(cyanomethyl)-1,5-dioxo-1,2-dihydro[1,2,4]triazolo[4,3-a]quinazolin-4(5H)-yl]propanamide
Chemical Structure Depiction of
N-(butan-2-yl)-3-[2-(cyanomethyl)-1,5-dioxo-1,2-dihydro[1,2,4]triazolo[4,3-a]quinazolin-4(5H)-yl]propanamide
N-(butan-2-yl)-3-[2-(cyanomethyl)-1,5-dioxo-1,2-dihydro[1,2,4]triazolo[4,3-a]quinazolin-4(5H)-yl]propanamide
Compound characteristics
| Compound ID: | L940-0076 |
| Compound Name: | N-(butan-2-yl)-3-[2-(cyanomethyl)-1,5-dioxo-1,2-dihydro[1,2,4]triazolo[4,3-a]quinazolin-4(5H)-yl]propanamide |
| Molecular Weight: | 368.39 |
| Molecular Formula: | C18 H20 N6 O3 |
| Smiles: | CCC(C)NC(CCN1C2=NN(CC#N)C(N2c2ccccc2C1=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.7879 |
| logD: | 0.7879 |
| logSw: | -2.3676 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.84 |
| InChI Key: | JNISEUZNBGOMII-LBPRGKRZSA-N |