2-[2-(tert-butylamino)-2-oxoethyl]-4-[(4-methylphenyl)methyl]-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-[2-(tert-butylamino)-2-oxoethyl]-4-[(4-methylphenyl)methyl]-N-(2-methylpropyl)-1,5-dioxo-1,2,4,5-tetrahydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
2-[2-(tert-butylamino)-2-oxoethyl]-4-[(4-methylphenyl)methyl]-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: | F470-0665 |
| Compound Name: | 2-[2-(tert-butylamino)-2-oxoethyl]-4-[(4-methylphenyl)methyl]-N-(2-methylpropyl)-1,5-dioxo-1,2,4,5-tetrahydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide |
| Molecular Weight: | 518.62 |
| Molecular Formula: | C28 H34 N6 O4 |
| Smiles: | CC(C)CNC(c1ccc2C(N(Cc3ccc(C)cc3)C3=NN(CC(NC(C)(C)C)=O)C(N3c2c1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6432 |
| logD: | 3.6429 |
| logSw: | -3.9272 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 96.187 |
| InChI Key: | UZWUSKVRQQQRGD-UHFFFAOYSA-N |