2-methyl-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-methyl-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-methyl-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: | F471-0442 |
| Compound Name: | 2-methyl-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: | 385.46 |
| Molecular Formula: | C20 H27 N5 O3 |
| Smiles: | CC(C)CCN1C2=NN(C)C(N2c2cc(ccc2C1=O)C(NCC(C)C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6326 |
| logD: | 2.6326 |
| logSw: | -3.1601 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.821 |
| InChI Key: | PAFJMXLEPMGOKI-UHFFFAOYSA-N |