N-[(2H-1,3-benzodioxol-5-yl)methyl]-2,4-dioxo-1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-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]-2,4-dioxo-1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-3-(prop-2-en-1-yl)-1,2,3,4-tetrahydroquinazoline-7-carboxamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2,4-dioxo-1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-3-(prop-2-en-1-yl)-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | C487-0161 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-2,4-dioxo-1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-3-(prop-2-en-1-yl)-1,2,3,4-tetrahydroquinazoline-7-carboxamide |
| Molecular Weight: | 581.63 |
| Molecular Formula: | C32 H31 N5 O6 |
| Smiles: | C=CCN1C(c2ccc(cc2N(CC(N2CCN(CC2)c2ccccc2)=O)C1=O)C(NCc1ccc2c(c1)OCO2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0198 |
| logD: | 3.0197 |
| logSw: | -3.5223 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 92.698 |
| InChI Key: | PYMJZGWQXJKYGU-UHFFFAOYSA-N |