N-benzyl-1-[2-(2,4-difluoroanilino)-2-oxoethyl]-2,4-dioxo-3-(prop-2-en-1-yl)-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Chemical Structure Depiction of
N-benzyl-1-[2-(2,4-difluoroanilino)-2-oxoethyl]-2,4-dioxo-3-(prop-2-en-1-yl)-1,2,3,4-tetrahydroquinazoline-7-carboxamide
N-benzyl-1-[2-(2,4-difluoroanilino)-2-oxoethyl]-2,4-dioxo-3-(prop-2-en-1-yl)-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | C487-0276 |
| Compound Name: | N-benzyl-1-[2-(2,4-difluoroanilino)-2-oxoethyl]-2,4-dioxo-3-(prop-2-en-1-yl)-1,2,3,4-tetrahydroquinazoline-7-carboxamide |
| Molecular Weight: | 504.49 |
| Molecular Formula: | C27 H22 F2 N4 O4 |
| Smiles: | C=CCN1C(c2ccc(cc2N(CC(Nc2ccc(cc2F)F)=O)C1=O)C(NCc1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4589 |
| logD: | 3.4514 |
| logSw: | -3.8514 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.382 |
| InChI Key: | BMECXMBTUUQKGV-UHFFFAOYSA-N |