3-[2-{[2-(3-chloro-4-methylanilino)-2-oxoethyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]-N-cyclohexylpropanamide
Chemical Structure Depiction of
3-[2-{[2-(3-chloro-4-methylanilino)-2-oxoethyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]-N-cyclohexylpropanamide
3-[2-{[2-(3-chloro-4-methylanilino)-2-oxoethyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]-N-cyclohexylpropanamide
Compound characteristics
| Compound ID: | K284-3038 |
| Compound Name: | 3-[2-{[2-(3-chloro-4-methylanilino)-2-oxoethyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]-N-cyclohexylpropanamide |
| Molecular Weight: | 513.06 |
| Molecular Formula: | C26 H29 Cl N4 O3 S |
| Smiles: | Cc1ccc(cc1[Cl])NC(CSC1=Nc2ccccc2C(N1CCC(NC1CCCCC1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0427 |
| logD: | 5.0426 |
| logSw: | -5.0404 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.096 |
| InChI Key: | ABTABDARRVFDTG-UHFFFAOYSA-N |