methyl 4-oxo-3-phenyl-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Chemical Structure Depiction of
methyl 4-oxo-3-phenyl-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
methyl 4-oxo-3-phenyl-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Compound characteristics
| Compound ID: | F207-0005 |
| Compound Name: | methyl 4-oxo-3-phenyl-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate |
| Molecular Weight: | 312.34 |
| Molecular Formula: | C16 H12 N2 O3 S |
| Smiles: | COC(c1ccc2C(N(C(Nc2c1)=S)c1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8367 |
| logD: | 2.8153 |
| logSw: | -3.6681 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.88 |
| InChI Key: | QSMGBQNWQGFRSE-UHFFFAOYSA-N |