N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-{2-[(butan-2-yl)amino]-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-[(butan-2-yl)amino]-2-oxoethyl}-2,4-dioxo-3-phenyl-1,2,3,4-tetrahydroquinazoline-7-carboxamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-{2-[(butan-2-yl)amino]-2-oxoethyl}-2,4-dioxo-3-phenyl-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | C487-0086 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-{2-[(butan-2-yl)amino]-2-oxoethyl}-2,4-dioxo-3-phenyl-1,2,3,4-tetrahydroquinazoline-7-carboxamide |
| Molecular Weight: | 528.56 |
| Molecular Formula: | C29 H28 N4 O6 |
| Smiles: | CCC(C)NC(CN1C(N(C(c2ccc(cc12)C(NCc1ccc2c(c1)OCO2)=O)=O)c1ccccc1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.6848 |
| logD: | 2.6848 |
| logSw: | -3.4507 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 96.369 |
| InChI Key: | CXOLDOTZQJNEOS-SFHVURJKSA-N |