N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-[2-(3-methoxyanilino)-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-methoxyanilino)-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-methoxyanilino)-2-oxoethyl]-2,4-dioxo-3-phenyl-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | C487-0082 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-[2-(3-methoxyanilino)-2-oxoethyl]-2,4-dioxo-3-phenyl-1,2,3,4-tetrahydroquinazoline-7-carboxamide |
| Molecular Weight: | 578.58 |
| Molecular Formula: | C32 H26 N4 O7 |
| Smiles: | COc1cccc(c1)NC(CN1C(N(C(c2ccc(cc12)C(NCc1ccc2c(c1)OCO2)=O)=O)c1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.701 |
| logD: | 3.701 |
| logSw: | -4.0741 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 102.877 |
| InChI Key: | LJQOMFCOUNHZOG-UHFFFAOYSA-N |