4-{[2-{[(2-cyanophenyl)methyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]methyl}-N-[(furan-2-yl)methyl]cyclohexane-1-carboxamide
Chemical Structure Depiction of
4-{[2-{[(2-cyanophenyl)methyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]methyl}-N-[(furan-2-yl)methyl]cyclohexane-1-carboxamide
4-{[2-{[(2-cyanophenyl)methyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]methyl}-N-[(furan-2-yl)methyl]cyclohexane-1-carboxamide
Compound characteristics
| Compound ID: | K284-4793 |
| Compound Name: | 4-{[2-{[(2-cyanophenyl)methyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]methyl}-N-[(furan-2-yl)methyl]cyclohexane-1-carboxamide |
| Molecular Weight: | 512.63 |
| Molecular Formula: | C29 H28 N4 O3 S |
| Smiles: | C1CC(CCC1CN1C(=Nc2ccccc2C1=O)SCc1ccccc1C#N)C(NCc1ccco1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0758 |
| logD: | 5.0758 |
| logSw: | -4.9799 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.182 |
| InChI Key: | OIUZFYFCGGMSPD-UHFFFAOYSA-N |