N-benzyl-4-[2-{[2-(2-methoxyanilino)-2-oxoethyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]butanamide
Chemical Structure Depiction of
N-benzyl-4-[2-{[2-(2-methoxyanilino)-2-oxoethyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]butanamide
N-benzyl-4-[2-{[2-(2-methoxyanilino)-2-oxoethyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]butanamide
Compound characteristics
Compound ID: | K284-3765 |
Compound Name: | N-benzyl-4-[2-{[2-(2-methoxyanilino)-2-oxoethyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]butanamide |
Molecular Weight: | 516.62 |
Molecular Formula: | C28 H28 N4 O4 S |
Smiles: | COc1ccccc1NC(CSC1=Nc2ccccc2C(N1CCCC(NCc1ccccc1)=O)=O)=O |
Stereo: | ACHIRAL |
logP: | 2.8081 |
logD: | 2.808 |
logSw: | -3.6628 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 80.303 |
InChI Key: | HKKBAEUKOLMBDY-UHFFFAOYSA-N |