N-[(2H-1,3-benzodioxol-5-yl)methyl]-2,4-dioxo-3-(prop-2-en-1-yl)-1-[(2,4,6-trimethylphenyl)methyl]-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2,4-dioxo-3-(prop-2-en-1-yl)-1-[(2,4,6-trimethylphenyl)methyl]-1,2,3,4-tetrahydroquinazoline-7-carboxamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2,4-dioxo-3-(prop-2-en-1-yl)-1-[(2,4,6-trimethylphenyl)methyl]-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | C487-0163 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-2,4-dioxo-3-(prop-2-en-1-yl)-1-[(2,4,6-trimethylphenyl)methyl]-1,2,3,4-tetrahydroquinazoline-7-carboxamide |
| Molecular Weight: | 511.58 |
| Molecular Formula: | C30 H29 N3 O5 |
| Smiles: | Cc1cc(C)c(CN2C(N(CC=C)C(c3ccc(cc23)C(NCc2ccc3c(c2)OCO3)=O)=O)=O)c(C)c1 |
| Stereo: | ACHIRAL |
| logP: | 5.4676 |
| logD: | 5.4676 |
| logSw: | -5.369 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.046 |
| InChI Key: | ZWELSPGMKBKGRZ-UHFFFAOYSA-N |