3-(3-chloro-4-fluorophenyl)-4-oxo-N-[(oxolan-2-yl)methyl]-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Chemical Structure Depiction of
3-(3-chloro-4-fluorophenyl)-4-oxo-N-[(oxolan-2-yl)methyl]-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
3-(3-chloro-4-fluorophenyl)-4-oxo-N-[(oxolan-2-yl)methyl]-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | A0061642 |
| Compound Name: | 3-(3-chloro-4-fluorophenyl)-4-oxo-N-[(oxolan-2-yl)methyl]-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide |
| Molecular Weight: | 433.89 |
| Molecular Formula: | C20 H17 Cl F N3 O3 S |
| Smiles: | C1CC(CNC(c2ccc3C(N(C(Nc3c2)=S)c2ccc(c(c2)[Cl])F)=O)=O)OC1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.63 |
| logD: | 2.5235 |
| logSw: | -3.6959 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 59.774 |
| InChI Key: | BMEZNMCKXXZUSQ-CYBMUJFWSA-N |