2-(cyanomethyl)-4-(3-methylbutyl)-N-(2-methylpropyl)-1,5-dioxo-1,2,4,5-tetrahydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
Chemical Structure Depiction of
2-(cyanomethyl)-4-(3-methylbutyl)-N-(2-methylpropyl)-1,5-dioxo-1,2,4,5-tetrahydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
2-(cyanomethyl)-4-(3-methylbutyl)-N-(2-methylpropyl)-1,5-dioxo-1,2,4,5-tetrahydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
Compound characteristics
| Compound ID: | F471-0443 |
| Compound Name: | 2-(cyanomethyl)-4-(3-methylbutyl)-N-(2-methylpropyl)-1,5-dioxo-1,2,4,5-tetrahydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide |
| Molecular Weight: | 410.47 |
| Molecular Formula: | C21 H26 N6 O3 |
| Smiles: | CC(C)CCN1C2=NN(CC#N)C(N2c2cc(ccc2C1=O)C(NCC(C)C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.228 |
| logD: | 2.228 |
| logSw: | -3.0697 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.612 |
| InChI Key: | AXXLNURVRUADLP-UHFFFAOYSA-N |