N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-[2-(4-bromoanilino)-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-(4-bromoanilino)-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-(4-bromoanilino)-2-oxoethyl]-2,4-dioxo-3-(prop-2-en-1-yl)-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | C487-0175 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-[2-(4-bromoanilino)-2-oxoethyl]-2,4-dioxo-3-(prop-2-en-1-yl)-1,2,3,4-tetrahydroquinazoline-7-carboxamide |
| Molecular Weight: | 591.42 |
| Molecular Formula: | C28 H23 Br N4 O6 |
| Smiles: | C=CCN1C(c2ccc(cc2N(CC(Nc2ccc(cc2)[Br])=O)C1=O)C(NCc1ccc2c(c1)OCO2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.29 |
| logD: | 4.2899 |
| logSw: | -4.4235 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 96.195 |
| InChI Key: | RVYUKTOKCIACIG-UHFFFAOYSA-N |