N-(butan-2-yl)-2-[2-(4-fluoroanilino)-2-oxoethyl]-1,5-dioxo-4-(prop-2-en-1-yl)-1,2,4,5-tetrahydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
Chemical Structure Depiction of
N-(butan-2-yl)-2-[2-(4-fluoroanilino)-2-oxoethyl]-1,5-dioxo-4-(prop-2-en-1-yl)-1,2,4,5-tetrahydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
N-(butan-2-yl)-2-[2-(4-fluoroanilino)-2-oxoethyl]-1,5-dioxo-4-(prop-2-en-1-yl)-1,2,4,5-tetrahydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
Compound characteristics
| Compound ID: | F470-0999 |
| Compound Name: | N-(butan-2-yl)-2-[2-(4-fluoroanilino)-2-oxoethyl]-1,5-dioxo-4-(prop-2-en-1-yl)-1,2,4,5-tetrahydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide |
| Molecular Weight: | 492.51 |
| Molecular Formula: | C25 H25 F N6 O4 |
| Smiles: | CCC(C)NC(c1ccc2C(N(CC=C)C3=NN(CC(Nc4ccc(cc4)F)=O)C(N3c2c1)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.4168 |
| logD: | 2.4168 |
| logSw: | -3.1237 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 95.461 |
| InChI Key: | QOBAUDNZXKMRPM-HNNXBMFYSA-N |