N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-{2-[ethyl(3-methylphenyl)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-[ethyl(3-methylphenyl)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-[ethyl(3-methylphenyl)amino]-2-oxoethyl}-2,4-dioxo-3-phenyl-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | C260-3430 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-{2-[ethyl(3-methylphenyl)amino]-2-oxoethyl}-2,4-dioxo-3-phenyl-1,2,3,4-tetrahydroquinazoline-7-carboxamide |
| Molecular Weight: | 590.64 |
| Molecular Formula: | C34 H30 N4 O6 |
| Smiles: | CCN(C(CN1C(N(C(c2ccc(cc12)C(NCc1ccc2c(c1)OCO2)=O)=O)c1ccccc1)=O)=O)c1cccc(C)c1 |
| Stereo: | ACHIRAL |
| logP: | 4.1821 |
| logD: | 4.1821 |
| logSw: | -4.2361 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.276 |
| InChI Key: | CDKVQFVXHKBIKK-UHFFFAOYSA-N |