3-[2-{[2-(3-chloro-4-methylanilino)-2-oxoethyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]-N-[(4-fluorophenyl)methyl]propanamide
Chemical Structure Depiction of
3-[2-{[2-(3-chloro-4-methylanilino)-2-oxoethyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]-N-[(4-fluorophenyl)methyl]propanamide
3-[2-{[2-(3-chloro-4-methylanilino)-2-oxoethyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]-N-[(4-fluorophenyl)methyl]propanamide
Compound characteristics
| Compound ID: | K284-3016 |
| Compound Name: | 3-[2-{[2-(3-chloro-4-methylanilino)-2-oxoethyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]-N-[(4-fluorophenyl)methyl]propanamide |
| Molecular Weight: | 539.03 |
| Molecular Formula: | C27 H24 Cl F N4 O3 S |
| Smiles: | Cc1ccc(cc1[Cl])NC(CSC1=Nc2ccccc2C(N1CCC(NCc1ccc(cc1)F)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7274 |
| logD: | 4.7273 |
| logSw: | -4.8052 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.37 |
| InChI Key: | QSFQCUHTAJUKTF-UHFFFAOYSA-N |