4,6-dimethyl-2-{[(4-oxo-3,4-dihydroquinazolin-2-yl)methyl]sulfanyl}pyridine-3-carbonitrile
Chemical Structure Depiction of
4,6-dimethyl-2-{[(4-oxo-3,4-dihydroquinazolin-2-yl)methyl]sulfanyl}pyridine-3-carbonitrile
4,6-dimethyl-2-{[(4-oxo-3,4-dihydroquinazolin-2-yl)methyl]sulfanyl}pyridine-3-carbonitrile
Compound characteristics
| Compound ID: | 8016-8651 |
| Compound Name: | 4,6-dimethyl-2-{[(4-oxo-3,4-dihydroquinazolin-2-yl)methyl]sulfanyl}pyridine-3-carbonitrile |
| Molecular Weight: | 322.39 |
| Molecular Formula: | C17 H14 N4 O S |
| Smiles: | Cc1cc(C)nc(c1C#N)SCC1NC(c2ccccc2N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4508 |
| logD: | 2.449 |
| logSw: | -3.0191 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.51 |
| InChI Key: | RXMXCJXZDTUASP-UHFFFAOYSA-N |