3-(4-ethylphenyl)-2,4-dioxo-1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-N-(2-phenylethyl)-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Chemical Structure Depiction of
3-(4-ethylphenyl)-2,4-dioxo-1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-N-(2-phenylethyl)-1,2,3,4-tetrahydroquinazoline-7-carboxamide
3-(4-ethylphenyl)-2,4-dioxo-1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-N-(2-phenylethyl)-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | C487-0300 |
| Compound Name: | 3-(4-ethylphenyl)-2,4-dioxo-1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-N-(2-phenylethyl)-1,2,3,4-tetrahydroquinazoline-7-carboxamide |
| Molecular Weight: | 615.73 |
| Molecular Formula: | C37 H37 N5 O4 |
| Smiles: | CCc1ccc(cc1)N1C(c2ccc(cc2N(CC(N2CCN(CC2)c2ccccc2)=O)C1=O)C(NCCc1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2709 |
| logD: | 4.2708 |
| logSw: | -4.1483 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.563 |
| InChI Key: | XXKNTTDEMQEREZ-UHFFFAOYSA-N |