N~8~-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxo-N~3~-[(oxolan-2-yl)methyl]-1-sulfanylidene-4,5-dihydro-1H-[1,3]thiazolo[3,4-a]quinazoline-3,8-dicarboxamide
Chemical Structure Depiction of
N~8~-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxo-N~3~-[(oxolan-2-yl)methyl]-1-sulfanylidene-4,5-dihydro-1H-[1,3]thiazolo[3,4-a]quinazoline-3,8-dicarboxamide
N~8~-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxo-N~3~-[(oxolan-2-yl)methyl]-1-sulfanylidene-4,5-dihydro-1H-[1,3]thiazolo[3,4-a]quinazoline-3,8-dicarboxamide
Compound characteristics
| Compound ID: | K233-0150 |
| Compound Name: | N~8~-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxo-N~3~-[(oxolan-2-yl)methyl]-1-sulfanylidene-4,5-dihydro-1H-[1,3]thiazolo[3,4-a]quinazoline-3,8-dicarboxamide |
| Molecular Weight: | 568.67 |
| Molecular Formula: | C27 H28 N4 O6 S2 |
| Smiles: | COc1ccc(CCNC(c2ccc3C(NC4=C(C(NCC5CCCO5)=O)SC(N4c3c2)=S)=O)=O)cc1OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.3734 |
| logD: | 1.3734 |
| logSw: | -2.5978 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 99.559 |
| InChI Key: | QELAPJSCVDWHMC-QGZVFWFLSA-N |