4-{[2-{[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]methyl}-N-(propan-2-yl)benzamide
Chemical Structure Depiction of
4-{[2-{[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]methyl}-N-(propan-2-yl)benzamide
4-{[2-{[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]methyl}-N-(propan-2-yl)benzamide
Compound characteristics
Compound ID: | G629-0092 |
Compound Name: | 4-{[2-{[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]methyl}-N-(propan-2-yl)benzamide |
Molecular Weight: | 504.58 |
Molecular Formula: | C27 H25 F N4 O3 S |
Smiles: | CC(C)NC(c1ccc(CN2C(=Nc3ccccc3C2=O)SCC(Nc2ccccc2F)=O)cc1)=O |
Stereo: | ACHIRAL |
logP: | 3.5966 |
logD: | 3.5965 |
logSw: | -3.8902 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 71.882 |
InChI Key: | SLNBFYGBIWHKAM-UHFFFAOYSA-N |