4-[2-{[2-(butylamino)-2-oxoethyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]-N-[(3-chlorophenyl)methyl]butanamide
Chemical Structure Depiction of
4-[2-{[2-(butylamino)-2-oxoethyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]-N-[(3-chlorophenyl)methyl]butanamide
4-[2-{[2-(butylamino)-2-oxoethyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]-N-[(3-chlorophenyl)methyl]butanamide
Compound characteristics
Compound ID: | K284-3379 |
Compound Name: | 4-[2-{[2-(butylamino)-2-oxoethyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]-N-[(3-chlorophenyl)methyl]butanamide |
Molecular Weight: | 501.05 |
Molecular Formula: | C25 H29 Cl N4 O3 S |
Smiles: | CCCCNC(CSC1=Nc2ccccc2C(N1CCCC(NCc1cccc(c1)[Cl])=O)=O)=O |
Stereo: | ACHIRAL |
logP: | 3.0873 |
logD: | 3.0873 |
logSw: | -3.7085 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 74.805 |
InChI Key: | OMBQPYVBSAZKAU-UHFFFAOYSA-N |