4-oxo-3-[(oxolan-2-yl)methyl]-N-[3-(piperidin-1-yl)propyl]-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Chemical Structure Depiction of
4-oxo-3-[(oxolan-2-yl)methyl]-N-[3-(piperidin-1-yl)propyl]-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
4-oxo-3-[(oxolan-2-yl)methyl]-N-[3-(piperidin-1-yl)propyl]-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | K284-4301 |
| Compound Name: | 4-oxo-3-[(oxolan-2-yl)methyl]-N-[3-(piperidin-1-yl)propyl]-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide |
| Molecular Weight: | 430.57 |
| Molecular Formula: | C22 H30 N4 O3 S |
| Smiles: | C1CCN(CC1)CCCNC(c1ccc2C(N(CC3CCCO3)C(Nc2c1)=S)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.8211 |
| logD: | -0.7751 |
| logSw: | -2.6884 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 64.21 |
| InChI Key: | ORRYAKIRWHQDNC-QGZVFWFLSA-N |