N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-[(4-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-[(4-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-[(4-methylphenyl)methyl]-2,4-dioxo-3-(prop-2-en-1-yl)-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | C487-0151 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-[(4-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: | Cc1ccc(CN2C(N(CC=C)C(c3ccc(cc23)C(NCc2ccc3c(c2)OCO3)=O)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.4736 |
| logD: | 4.4736 |
| logSw: | -4.3166 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.046 |
| InChI Key: | AAJPCBLLZNKAIN-UHFFFAOYSA-N |