2-{[2-(adamantan-1-yl)-2-oxoethyl]sulfanyl}-3-methylquinazolin-4(3H)-one
Chemical Structure Depiction of
2-{[2-(adamantan-1-yl)-2-oxoethyl]sulfanyl}-3-methylquinazolin-4(3H)-one
2-{[2-(adamantan-1-yl)-2-oxoethyl]sulfanyl}-3-methylquinazolin-4(3H)-one
Compound characteristics
| Compound ID: | 8015-0847 |
| Compound Name: | 2-{[2-(adamantan-1-yl)-2-oxoethyl]sulfanyl}-3-methylquinazolin-4(3H)-one |
| Molecular Weight: | 368.5 |
| Molecular Formula: | C21 H24 N2 O2 S |
| Smiles: | CN1C(=Nc2ccccc2C1=O)SCC(C12CC3CC(CC(C3)C2)C1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1597 |
| logD: | 4.1597 |
| logSw: | -4.4132 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 39.089 |
| InChI Key: | AKIWTQYMURBKAG-UHFFFAOYSA-N |