2-[2-(2,5-difluoroanilino)-2-oxoethyl]-1,5-dioxo-N-(propan-2-yl)-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
2-[2-(2,5-difluoroanilino)-2-oxoethyl]-1,5-dioxo-N-(propan-2-yl)-4-(prop-2-en-1-yl)-1,2,4,5-tetrahydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
2-[2-(2,5-difluoroanilino)-2-oxoethyl]-1,5-dioxo-N-(propan-2-yl)-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: | F470-0995 |
| Compound Name: | 2-[2-(2,5-difluoroanilino)-2-oxoethyl]-1,5-dioxo-N-(propan-2-yl)-4-(prop-2-en-1-yl)-1,2,4,5-tetrahydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide |
| Molecular Weight: | 496.47 |
| Molecular Formula: | C24 H22 F2 N6 O4 |
| Smiles: | CC(C)NC(c1ccc2C(N(CC=C)C3=NN(CC(Nc4cc(ccc4F)F)=O)C(N3c2c1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4293 |
| logD: | 2.4257 |
| logSw: | -3.1432 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 94.296 |
| InChI Key: | VQRFYYBVSBASNP-UHFFFAOYSA-N |