2-{[2-(2-chloroanilino)-2-oxoethyl]sulfanyl}-N-[(furan-2-yl)methyl]-4-oxo-3-(prop-2-en-1-yl)-3,4-dihydroquinazoline-7-carboxamide
Chemical Structure Depiction of
2-{[2-(2-chloroanilino)-2-oxoethyl]sulfanyl}-N-[(furan-2-yl)methyl]-4-oxo-3-(prop-2-en-1-yl)-3,4-dihydroquinazoline-7-carboxamide
2-{[2-(2-chloroanilino)-2-oxoethyl]sulfanyl}-N-[(furan-2-yl)methyl]-4-oxo-3-(prop-2-en-1-yl)-3,4-dihydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | K284-1499 |
| Compound Name: | 2-{[2-(2-chloroanilino)-2-oxoethyl]sulfanyl}-N-[(furan-2-yl)methyl]-4-oxo-3-(prop-2-en-1-yl)-3,4-dihydroquinazoline-7-carboxamide |
| Molecular Weight: | 508.98 |
| Molecular Formula: | C25 H21 Cl N4 O4 S |
| Smiles: | C=CCN1C(=Nc2cc(ccc2C1=O)C(NCc1ccco1)=O)SCC(Nc1ccccc1[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 3.6688 |
| logD: | 3.6687 |
| logSw: | -4.0686 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.635 |
| InChI Key: | WLQPBARVRBGITP-UHFFFAOYSA-N |