N-benzyl-1-[2-(4-ethoxyanilino)-2-oxoethyl]-2,4-dioxo-3-(prop-2-en-1-yl)-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Chemical Structure Depiction of
N-benzyl-1-[2-(4-ethoxyanilino)-2-oxoethyl]-2,4-dioxo-3-(prop-2-en-1-yl)-1,2,3,4-tetrahydroquinazoline-7-carboxamide
N-benzyl-1-[2-(4-ethoxyanilino)-2-oxoethyl]-2,4-dioxo-3-(prop-2-en-1-yl)-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | C487-0253 |
| Compound Name: | N-benzyl-1-[2-(4-ethoxyanilino)-2-oxoethyl]-2,4-dioxo-3-(prop-2-en-1-yl)-1,2,3,4-tetrahydroquinazoline-7-carboxamide |
| Molecular Weight: | 512.57 |
| Molecular Formula: | C29 H28 N4 O5 |
| Smiles: | CCOc1ccc(cc1)NC(CN1C(N(CC=C)C(c2ccc(cc12)C(NCc1ccccc1)=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.912 |
| logD: | 3.9119 |
| logSw: | -4.0251 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.203 |
| InChI Key: | YFLMHKZDIVSFJN-UHFFFAOYSA-N |