N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-[(2-methylphenyl)methyl]-2,4-dioxo-3-(prop-2-en-1-yl)-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-[(2-methylphenyl)methyl]-2,4-dioxo-3-(prop-2-en-1-yl)-1,2,3,4-tetrahydroquinazoline-7-carboxamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-[(2-methylphenyl)methyl]-2,4-dioxo-3-(prop-2-en-1-yl)-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | C487-0141 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-[(2-methylphenyl)methyl]-2,4-dioxo-3-(prop-2-en-1-yl)-1,2,3,4-tetrahydroquinazoline-7-carboxamide |
| Molecular Weight: | 483.52 |
| Molecular Formula: | C28 H25 N3 O5 |
| Smiles: | Cc1ccccc1CN1C(N(CC=C)C(c2ccc(cc12)C(NCc1ccc2c(c1)OCO2)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6688 |
| logD: | 4.6688 |
| logSw: | -4.3617 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.046 |
| InChI Key: | PJEJUWUVSMOJLH-UHFFFAOYSA-N |