2-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-4-(2-methylpropyl)-1,5-dioxo-N-(propan-2-yl)-1,2,4,5-tetrahydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
Chemical Structure Depiction of
2-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-4-(2-methylpropyl)-1,5-dioxo-N-(propan-2-yl)-1,2,4,5-tetrahydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
2-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-4-(2-methylpropyl)-1,5-dioxo-N-(propan-2-yl)-1,2,4,5-tetrahydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
Compound characteristics
| Compound ID: | F470-0225 |
| Compound Name: | 2-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-4-(2-methylpropyl)-1,5-dioxo-N-(propan-2-yl)-1,2,4,5-tetrahydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide |
| Molecular Weight: | 508.55 |
| Molecular Formula: | C26 H29 F N6 O4 |
| Smiles: | CC(C)CN1C2=NN(CC(Nc3ccc(C)c(c3)F)=O)C(N2c2cc(ccc2C1=O)C(NC(C)C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6671 |
| logD: | 3.6671 |
| logSw: | -4.0481 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 95.015 |
| InChI Key: | OXHOLSUZRJMGPM-UHFFFAOYSA-N |