methyl 3-[(3,4-dimethoxyphenyl)carbamoyl]-5-oxo-1-sulfanylidene-4,5-dihydro-1H-[1,3]thiazolo[3,4-a]quinazoline-8-carboxylate
Chemical Structure Depiction of
methyl 3-[(3,4-dimethoxyphenyl)carbamoyl]-5-oxo-1-sulfanylidene-4,5-dihydro-1H-[1,3]thiazolo[3,4-a]quinazoline-8-carboxylate
methyl 3-[(3,4-dimethoxyphenyl)carbamoyl]-5-oxo-1-sulfanylidene-4,5-dihydro-1H-[1,3]thiazolo[3,4-a]quinazoline-8-carboxylate
Compound characteristics
| Compound ID: | K233-0047 |
| Compound Name: | methyl 3-[(3,4-dimethoxyphenyl)carbamoyl]-5-oxo-1-sulfanylidene-4,5-dihydro-1H-[1,3]thiazolo[3,4-a]quinazoline-8-carboxylate |
| Molecular Weight: | 471.51 |
| Molecular Formula: | C21 H17 N3 O6 S2 |
| Smiles: | COC(c1ccc2C(NC3=C(C(Nc4ccc(c(c4)OC)OC)=O)SC(N3c2c1)=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6295 |
| logD: | 2.6295 |
| logSw: | -3.4562 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.502 |
| InChI Key: | LZHHQCRPFZIYGI-UHFFFAOYSA-N |