N-[(2-chlorophenyl)methyl]-4-[2-{[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]butanamide
Chemical Structure Depiction of
N-[(2-chlorophenyl)methyl]-4-[2-{[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]butanamide
N-[(2-chlorophenyl)methyl]-4-[2-{[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]butanamide
Compound characteristics
Compound ID: | K284-2921 |
Compound Name: | N-[(2-chlorophenyl)methyl]-4-[2-{[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]butanamide |
Molecular Weight: | 565.09 |
Molecular Formula: | C29 H29 Cl N4 O4 S |
Smiles: | CCOc1ccc(cc1)NC(CSC1=Nc2ccccc2C(N1CCCC(NCc1ccccc1[Cl])=O)=O)=O |
Stereo: | ACHIRAL |
logP: | 4.2059 |
logD: | 4.2059 |
logSw: | -4.3674 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 80.494 |
InChI Key: | HQUGTTKZNSRHOZ-UHFFFAOYSA-N |