2-{[1-(3,4-dimethylphenyl)-1-oxopropan-2-yl]sulfanyl}-3-(3-fluorophenyl)-N-(2-methoxyethyl)-4-oxo-3,4-dihydroquinazoline-7-carboxamide
Chemical Structure Depiction of
2-{[1-(3,4-dimethylphenyl)-1-oxopropan-2-yl]sulfanyl}-3-(3-fluorophenyl)-N-(2-methoxyethyl)-4-oxo-3,4-dihydroquinazoline-7-carboxamide
2-{[1-(3,4-dimethylphenyl)-1-oxopropan-2-yl]sulfanyl}-3-(3-fluorophenyl)-N-(2-methoxyethyl)-4-oxo-3,4-dihydroquinazoline-7-carboxamide
Compound characteristics
Compound ID: | F067-1144 |
Compound Name: | 2-{[1-(3,4-dimethylphenyl)-1-oxopropan-2-yl]sulfanyl}-3-(3-fluorophenyl)-N-(2-methoxyethyl)-4-oxo-3,4-dihydroquinazoline-7-carboxamide |
Molecular Weight: | 533.62 |
Molecular Formula: | C29 H28 F N3 O4 S |
Smiles: | CC(C(c1ccc(C)c(C)c1)=O)SC1=Nc2cc(ccc2C(N1c1cccc(c1)F)=O)C(NCCOC)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 4.8538 |
logD: | 4.8538 |
logSw: | -4.5838 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 71.767 |
InChI Key: | FMHCOVDZXIYJDM-IBGZPJMESA-N |