methyl 4-oxo-3-(4-oxo-4-{[(oxolan-2-yl)methyl]amino}butyl)-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Chemical Structure Depiction of
methyl 4-oxo-3-(4-oxo-4-{[(oxolan-2-yl)methyl]amino}butyl)-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
methyl 4-oxo-3-(4-oxo-4-{[(oxolan-2-yl)methyl]amino}butyl)-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Compound characteristics
| Compound ID: | F207-0242 |
| Compound Name: | methyl 4-oxo-3-(4-oxo-4-{[(oxolan-2-yl)methyl]amino}butyl)-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate |
| Molecular Weight: | 405.47 |
| Molecular Formula: | C19 H23 N3 O5 S |
| Smiles: | COC(c1ccc2C(N(CCCC(NCC3CCCO3)=O)C(Nc2c1)=S)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.8944 |
| logD: | 0.8902 |
| logSw: | -2.4109 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.596 |
| InChI Key: | ZDXNKZHJDLICKB-CYBMUJFWSA-N |