2-{[(4-ethenylphenyl)methyl]sulfanyl}-3-(3-fluorophenyl)-N-(2-methylpropyl)-4-oxo-3,4-dihydroquinazoline-7-carboxamide
Chemical Structure Depiction of
2-{[(4-ethenylphenyl)methyl]sulfanyl}-3-(3-fluorophenyl)-N-(2-methylpropyl)-4-oxo-3,4-dihydroquinazoline-7-carboxamide
2-{[(4-ethenylphenyl)methyl]sulfanyl}-3-(3-fluorophenyl)-N-(2-methylpropyl)-4-oxo-3,4-dihydroquinazoline-7-carboxamide
Compound characteristics
Compound ID: | G858-0088 |
Compound Name: | 2-{[(4-ethenylphenyl)methyl]sulfanyl}-3-(3-fluorophenyl)-N-(2-methylpropyl)-4-oxo-3,4-dihydroquinazoline-7-carboxamide |
Molecular Weight: | 487.6 |
Molecular Formula: | C28 H26 F N3 O2 S |
Smiles: | CC(C)CNC(c1ccc2C(N(C(=Nc2c1)SCc1ccc(C=C)cc1)c1cccc(c1)F)=O)=O |
Stereo: | ACHIRAL |
logP: | 4.9718 |
logD: | 4.9718 |
logSw: | -4.6088 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 49.844 |
InChI Key: | WQPLTYVXTSSLIC-UHFFFAOYSA-N |