methyl 3-(2-fluorophenyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Chemical Structure Depiction of
methyl 3-(2-fluorophenyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
methyl 3-(2-fluorophenyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Compound characteristics
| Compound ID: | A0060788 |
| Compound Name: | methyl 3-(2-fluorophenyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate |
| Molecular Weight: | 330.34 |
| Molecular Formula: | C16 H11 F N2 O3 S |
| Smiles: | COC(c1ccc2C(N(C(Nc2c1)=S)c1ccccc1F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0087 |
| logD: | 2.863 |
| logSw: | -3.6772 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.579 |
| InChI Key: | ITLBCMGUJLLOCN-UHFFFAOYSA-N |