N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-[(3-nitrophenyl)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-[(3-nitrophenyl)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-[(3-nitrophenyl)methyl]-2,4-dioxo-3-(prop-2-en-1-yl)-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | C487-0144 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-[(3-nitrophenyl)methyl]-2,4-dioxo-3-(prop-2-en-1-yl)-1,2,3,4-tetrahydroquinazoline-7-carboxamide |
| Molecular Weight: | 514.49 |
| Molecular Formula: | C27 H22 N4 O7 |
| Smiles: | C=CCN1C(c2ccc(cc2N(Cc2cccc(c2)[N+]([O-])=O)C1=O)C(NCc1ccc2c(c1)OCO2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9124 |
| logD: | 3.9124 |
| logSw: | -4.1883 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 106.427 |
| InChI Key: | XZVULDBWKPGTGD-UHFFFAOYSA-N |