3-[(2H-1,3-benzodioxol-5-yl)methyl]-N-cyclohexyl-1-[2-(4-fluoroanilino)-2-oxoethyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Chemical Structure Depiction of
3-[(2H-1,3-benzodioxol-5-yl)methyl]-N-cyclohexyl-1-[2-(4-fluoroanilino)-2-oxoethyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxamide
3-[(2H-1,3-benzodioxol-5-yl)methyl]-N-cyclohexyl-1-[2-(4-fluoroanilino)-2-oxoethyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | C487-0384 |
| Compound Name: | 3-[(2H-1,3-benzodioxol-5-yl)methyl]-N-cyclohexyl-1-[2-(4-fluoroanilino)-2-oxoethyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxamide |
| Molecular Weight: | 572.59 |
| Molecular Formula: | C31 H29 F N4 O6 |
| Smiles: | C1CCC(CC1)NC(c1ccc2C(N(Cc3ccc4c(c3)OCO4)C(N(CC(Nc3ccc(cc3)F)=O)c2c1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8939 |
| logD: | 4.8938 |
| logSw: | -4.7968 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 95.67 |
| InChI Key: | WRRKGZXULIELIN-UHFFFAOYSA-N |