6-[2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]-N-[(oxolan-2-yl)methyl]hexanamide
Chemical Structure Depiction of
6-[2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]-N-[(oxolan-2-yl)methyl]hexanamide
6-[2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]-N-[(oxolan-2-yl)methyl]hexanamide
Compound characteristics
| Compound ID: | K284-1279 |
| Compound Name: | 6-[2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]-N-[(oxolan-2-yl)methyl]hexanamide |
| Molecular Weight: | 528.07 |
| Molecular Formula: | C27 H30 Cl N3 O4 S |
| Smiles: | C(CCC(NCC1CCCO1)=O)CCN1C(=Nc2ccccc2C1=O)SCC(c1ccc(cc1)[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.2425 |
| logD: | 3.2425 |
| logSw: | -4.1667 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.122 |
| InChI Key: | HNFIFTQECSEQQX-OAQYLSRUSA-N |