8-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-5-oxo-N-[(oxolan-2-yl)methyl]-1-sulfanylidene-4,5-dihydro-1H-[1,3]thiazolo[3,4-a]quinazoline-3-carboxamide
Chemical Structure Depiction of
8-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-5-oxo-N-[(oxolan-2-yl)methyl]-1-sulfanylidene-4,5-dihydro-1H-[1,3]thiazolo[3,4-a]quinazoline-3-carboxamide
8-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-5-oxo-N-[(oxolan-2-yl)methyl]-1-sulfanylidene-4,5-dihydro-1H-[1,3]thiazolo[3,4-a]quinazoline-3-carboxamide
Compound characteristics
| Compound ID: | K233-0316 |
| Compound Name: | 8-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-5-oxo-N-[(oxolan-2-yl)methyl]-1-sulfanylidene-4,5-dihydro-1H-[1,3]thiazolo[3,4-a]quinazoline-3-carboxamide |
| Molecular Weight: | 520.63 |
| Molecular Formula: | C26 H24 N4 O4 S2 |
| Smiles: | C1CC(CNC(C2=C3NC(c4ccc(cc4N3C(=S)S2)C(N2CCc3ccccc3C2)=O)=O)=O)OC1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.1232 |
| logD: | 2.1232 |
| logSw: | -3.1905 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.354 |
| InChI Key: | AEKTVNCEQBICFE-GOSISDBHSA-N |