5-oxo-N-[(oxolan-2-yl)methyl]-8-(4-phenylpiperazine-1-carbonyl)-1-sulfanylidene-4,5-dihydro-1H-[1,3]thiazolo[3,4-a]quinazoline-3-carboxamide
Chemical Structure Depiction of
5-oxo-N-[(oxolan-2-yl)methyl]-8-(4-phenylpiperazine-1-carbonyl)-1-sulfanylidene-4,5-dihydro-1H-[1,3]thiazolo[3,4-a]quinazoline-3-carboxamide
5-oxo-N-[(oxolan-2-yl)methyl]-8-(4-phenylpiperazine-1-carbonyl)-1-sulfanylidene-4,5-dihydro-1H-[1,3]thiazolo[3,4-a]quinazoline-3-carboxamide
Compound characteristics
| Compound ID: | K233-0317 |
| Compound Name: | 5-oxo-N-[(oxolan-2-yl)methyl]-8-(4-phenylpiperazine-1-carbonyl)-1-sulfanylidene-4,5-dihydro-1H-[1,3]thiazolo[3,4-a]quinazoline-3-carboxamide |
| Molecular Weight: | 549.67 |
| Molecular Formula: | C27 H27 N5 O4 S2 |
| Smiles: | C1CC(CNC(C2=C3NC(c4ccc(cc4N3C(=S)S2)C(N2CCN(CC2)c2ccccc2)=O)=O)=O)OC1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.8892 |
| logD: | 1.8892 |
| logSw: | -2.9982 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.952 |
| InChI Key: | NZKDIYPZIMVTIF-LJQANCHMSA-N |