4-oxo-3-[(oxolan-2-yl)methyl]-N-(2-phenylethyl)-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Chemical Structure Depiction of
4-oxo-3-[(oxolan-2-yl)methyl]-N-(2-phenylethyl)-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
4-oxo-3-[(oxolan-2-yl)methyl]-N-(2-phenylethyl)-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | A0061736 |
| Compound Name: | 4-oxo-3-[(oxolan-2-yl)methyl]-N-(2-phenylethyl)-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide |
| Molecular Weight: | 409.51 |
| Molecular Formula: | C22 H23 N3 O3 S |
| Smiles: | C1CC(CN2C(c3ccc(cc3NC2=S)C(NCCc2ccccc2)=O)=O)OC1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.4522 |
| logD: | 2.4496 |
| logSw: | -3.2335 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 60.227 |
| InChI Key: | PKVONWCEMDAUMM-QGZVFWFLSA-N |