methyl 4-oxo-3-phenyl-2-sulfanyl-3,4-dihydroquinazoline-7-carboxylate
Chemical Structure Depiction of
methyl 4-oxo-3-phenyl-2-sulfanyl-3,4-dihydroquinazoline-7-carboxylate
methyl 4-oxo-3-phenyl-2-sulfanyl-3,4-dihydroquinazoline-7-carboxylate
Compound characteristics
| Compound ID: | 8019-8876 |
| Compound Name: | methyl 4-oxo-3-phenyl-2-sulfanyl-3,4-dihydroquinazoline-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: | 2.3641 |
| logD: | -3.1032 |
| logSw: | -2.968 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.111 |
| InChI Key: | QSMGBQNWQGFRSE-UHFFFAOYSA-N |