methyl 3-[(2,4-difluorophenyl)carbamoyl]-5-oxo-1-sulfanylidene-4,5-dihydro-1H-[1,3]thiazolo[3,4-a]quinazoline-8-carboxylate
Chemical Structure Depiction of
methyl 3-[(2,4-difluorophenyl)carbamoyl]-5-oxo-1-sulfanylidene-4,5-dihydro-1H-[1,3]thiazolo[3,4-a]quinazoline-8-carboxylate
methyl 3-[(2,4-difluorophenyl)carbamoyl]-5-oxo-1-sulfanylidene-4,5-dihydro-1H-[1,3]thiazolo[3,4-a]quinazoline-8-carboxylate
Compound characteristics
| Compound ID: | F083-0139 |
| Compound Name: | methyl 3-[(2,4-difluorophenyl)carbamoyl]-5-oxo-1-sulfanylidene-4,5-dihydro-1H-[1,3]thiazolo[3,4-a]quinazoline-8-carboxylate |
| Molecular Weight: | 447.44 |
| Molecular Formula: | C19 H11 F2 N3 O4 S2 |
| Smiles: | COC(c1ccc2C(NC3=C(C(Nc4ccc(cc4F)F)=O)SC(N3c2c1)=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2087 |
| logD: | 3.2071 |
| logSw: | -3.742 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.543 |
| InChI Key: | LJPIWSGDIKBHDX-UHFFFAOYSA-N |