2-[(2-{[(2-chlorophenyl)methyl]amino}-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-chlorophenyl)methyl]amino}-2-oxoethyl)sulfanyl]-N-[(furan-2-yl)methyl]-4-oxo-3-(prop-2-en-1-yl)-3,4-dihydroquinazoline-7-carboxamide
2-[(2-{[(2-chlorophenyl)methyl]amino}-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: | K289-0422 |
| Compound Name: | 2-[(2-{[(2-chlorophenyl)methyl]amino}-2-oxoethyl)sulfanyl]-N-[(furan-2-yl)methyl]-4-oxo-3-(prop-2-en-1-yl)-3,4-dihydroquinazoline-7-carboxamide |
| Molecular Weight: | 523.01 |
| Molecular Formula: | C26 H23 Cl N4 O4 S |
| Smiles: | C=CCN1C(=Nc2cc(ccc2C1=O)C(NCc1ccco1)=O)SCC(NCc1ccccc1[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.0813 |
| logD: | 4.0812 |
| logSw: | -4.4243 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.655 |
| InChI Key: | RKTSZSGXSUUSHA-UHFFFAOYSA-N |