1-(4-oxo-3-phenyl-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carbonyl)piperidine-4-carboxamide
Chemical Structure Depiction of
1-(4-oxo-3-phenyl-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carbonyl)piperidine-4-carboxamide
1-(4-oxo-3-phenyl-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carbonyl)piperidine-4-carboxamide
Compound characteristics
| Compound ID: | A0061242 |
| Compound Name: | 1-(4-oxo-3-phenyl-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carbonyl)piperidine-4-carboxamide |
| Molecular Weight: | 408.48 |
| Molecular Formula: | C21 H20 N4 O3 S |
| Smiles: | C1CN(CCC1C(N)=O)C(c1ccc2C(N(C(Nc2c1)=S)c1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.0738 |
| logD: | 1.0712 |
| logSw: | -2.4738 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 77.414 |
| InChI Key: | DWDULEXLMDKRDZ-UHFFFAOYSA-N |