methyl 4-[(2-chloro-6-fluorophenyl)methyl]-5-oxo-3-phenyl-1-sulfanylidene-4,5-dihydro-1H-[1,3]thiazolo[3,4-a]quinazoline-8-carboxylate
Chemical Structure Depiction of
methyl 4-[(2-chloro-6-fluorophenyl)methyl]-5-oxo-3-phenyl-1-sulfanylidene-4,5-dihydro-1H-[1,3]thiazolo[3,4-a]quinazoline-8-carboxylate
methyl 4-[(2-chloro-6-fluorophenyl)methyl]-5-oxo-3-phenyl-1-sulfanylidene-4,5-dihydro-1H-[1,3]thiazolo[3,4-a]quinazoline-8-carboxylate
Compound characteristics
| Compound ID: | K233-0858 |
| Compound Name: | methyl 4-[(2-chloro-6-fluorophenyl)methyl]-5-oxo-3-phenyl-1-sulfanylidene-4,5-dihydro-1H-[1,3]thiazolo[3,4-a]quinazoline-8-carboxylate |
| Molecular Weight: | 510.99 |
| Molecular Formula: | C25 H16 Cl F N2 O3 S2 |
| Smiles: | COC(c1ccc2C(N(Cc3c(cccc3[Cl])F)C3=C(c4ccccc4)SC(N3c2c1)=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.0724 |
| logD: | 6.0724 |
| logSw: | -5.9223 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 38.962 |
| InChI Key: | YXUMDAIAZQVRMI-UHFFFAOYSA-N |