N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-2,4-dioxo-3-phenyl-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-2,4-dioxo-3-phenyl-1,2,3,4-tetrahydroquinazoline-7-carboxamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-2,4-dioxo-3-phenyl-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | C487-0101 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-2,4-dioxo-3-phenyl-1,2,3,4-tetrahydroquinazoline-7-carboxamide |
| Molecular Weight: | 600.99 |
| Molecular Formula: | C31 H22 Cl F N4 O6 |
| Smiles: | C(c1ccc2c(c1)OCO2)NC(c1ccc2C(N(C(N(CC(Nc3ccc(c(c3)[Cl])F)=O)c2c1)=O)c1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3647 |
| logD: | 4.3587 |
| logSw: | -4.6398 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 95.334 |
| InChI Key: | QZJXEXULLQLTNN-UHFFFAOYSA-N |