N-benzyl-1-[2-(5-chloro-2-methoxyanilino)-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-(5-chloro-2-methoxyanilino)-2-oxoethyl]-2,4-dioxo-3-(prop-2-en-1-yl)-1,2,3,4-tetrahydroquinazoline-7-carboxamide
N-benzyl-1-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-2,4-dioxo-3-(prop-2-en-1-yl)-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | C487-0270 |
| Compound Name: | N-benzyl-1-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-2,4-dioxo-3-(prop-2-en-1-yl)-1,2,3,4-tetrahydroquinazoline-7-carboxamide |
| Molecular Weight: | 532.98 |
| Molecular Formula: | C28 H25 Cl N4 O5 |
| Smiles: | COc1ccc(cc1NC(CN1C(N(CC=C)C(c2ccc(cc12)C(NCc1ccccc1)=O)=O)=O)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.7959 |
| logD: | 3.7926 |
| logSw: | -4.3679 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.012 |
| InChI Key: | BWYBIBKGVSRETL-UHFFFAOYSA-N |