N-benzyl-1-[(4-chlorophenyl)methyl]-2,4-dioxo-3-(prop-2-en-1-yl)-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Chemical Structure Depiction of
N-benzyl-1-[(4-chlorophenyl)methyl]-2,4-dioxo-3-(prop-2-en-1-yl)-1,2,3,4-tetrahydroquinazoline-7-carboxamide
N-benzyl-1-[(4-chlorophenyl)methyl]-2,4-dioxo-3-(prop-2-en-1-yl)-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | C487-0247 |
| Compound Name: | N-benzyl-1-[(4-chlorophenyl)methyl]-2,4-dioxo-3-(prop-2-en-1-yl)-1,2,3,4-tetrahydroquinazoline-7-carboxamide |
| Molecular Weight: | 459.93 |
| Molecular Formula: | C26 H22 Cl N3 O3 |
| Smiles: | C=CCN1C(c2ccc(cc2N(Cc2ccc(cc2)[Cl])C1=O)C(NCc1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7318 |
| logD: | 4.7318 |
| logSw: | -5.0107 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.93 |
| InChI Key: | GDNPMCICLUKJPE-UHFFFAOYSA-N |