N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(2-{[(furan-2-yl)methyl]amino}-2-oxoethyl)-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-{[(furan-2-yl)methyl]amino}-2-oxoethyl)-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-{[(furan-2-yl)methyl]amino}-2-oxoethyl)-2,4-dioxo-3-(prop-2-en-1-yl)-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | C487-0150 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(2-{[(furan-2-yl)methyl]amino}-2-oxoethyl)-2,4-dioxo-3-(prop-2-en-1-yl)-1,2,3,4-tetrahydroquinazoline-7-carboxamide |
| Molecular Weight: | 516.51 |
| Molecular Formula: | C27 H24 N4 O7 |
| Smiles: | C=CCN1C(c2ccc(cc2N(CC(NCc2ccco2)=O)C1=O)C(NCc1ccc2c(c1)OCO2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7845 |
| logD: | 2.7845 |
| logSw: | -3.4897 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 105.266 |
| InChI Key: | PFGPCQFGXDXLTD-UHFFFAOYSA-N |