N~8~-[(2-methoxyphenyl)methyl]-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-methoxyphenyl)methyl]-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-methoxyphenyl)methyl]-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: | K233-0822 |
| Compound Name: | N~8~-[(2-methoxyphenyl)methyl]-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: | 524.62 |
| Molecular Formula: | C25 H24 N4 O5 S2 |
| Smiles: | COc1ccccc1CNC(c1ccc2C(NC3=C(C(NCC4CCCO4)=O)SC(N3c2c1)=S)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.1441 |
| logD: | 2.1441 |
| logSw: | -3.0984 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 92.088 |
| InChI Key: | MVRZRIYOCOCMEV-MRXNPFEDSA-N |