4-[2-{[(2-cyanophenyl)methyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]-N-[(furan-2-yl)methyl]butanamide
Chemical Structure Depiction of
4-[2-{[(2-cyanophenyl)methyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]-N-[(furan-2-yl)methyl]butanamide
4-[2-{[(2-cyanophenyl)methyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]-N-[(furan-2-yl)methyl]butanamide
Compound characteristics
| Compound ID: | K284-4639 |
| Compound Name: | 4-[2-{[(2-cyanophenyl)methyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]-N-[(furan-2-yl)methyl]butanamide |
| Molecular Weight: | 458.54 |
| Molecular Formula: | C25 H22 N4 O3 S |
| Smiles: | C(CC(NCc1ccco1)=O)CN1C(=Nc2ccccc2C1=O)SCc1ccccc1C#N |
| Stereo: | ACHIRAL |
| logP: | 3.2101 |
| logD: | 3.2101 |
| logSw: | -3.6191 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.026 |
| InChI Key: | LTOCGTNBDBZMDR-UHFFFAOYSA-N |