methyl 4-[3-(3-chloro-4-fluorophenyl)-4-oxo-1,2,3,4-tetrahydroquinazolin-2-yl]benzoate
Chemical Structure Depiction of
methyl 4-[3-(3-chloro-4-fluorophenyl)-4-oxo-1,2,3,4-tetrahydroquinazolin-2-yl]benzoate
methyl 4-[3-(3-chloro-4-fluorophenyl)-4-oxo-1,2,3,4-tetrahydroquinazolin-2-yl]benzoate
Compound characteristics
| Compound ID: | 8009-0846 |
| Compound Name: | methyl 4-[3-(3-chloro-4-fluorophenyl)-4-oxo-1,2,3,4-tetrahydroquinazolin-2-yl]benzoate |
| Molecular Weight: | 410.83 |
| Molecular Formula: | C22 H16 Cl F N2 O3 |
| Smiles: | COC(c1ccc(cc1)C1Nc2ccccc2C(N1c1ccc(c(c1)[Cl])F)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.0245 |
| logD: | 5.0245 |
| logSw: | -5.1405 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.905 |
| InChI Key: | JIWZGOTUDOGKGI-FQEVSTJZSA-N |