methyl 4-oxo-3-{4-[4-(pyridin-2-yl)piperazine-1-carbonyl]phenyl}-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Chemical Structure Depiction of
methyl 4-oxo-3-{4-[4-(pyridin-2-yl)piperazine-1-carbonyl]phenyl}-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
methyl 4-oxo-3-{4-[4-(pyridin-2-yl)piperazine-1-carbonyl]phenyl}-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Compound characteristics
| Compound ID: | F207-0366 |
| Compound Name: | methyl 4-oxo-3-{4-[4-(pyridin-2-yl)piperazine-1-carbonyl]phenyl}-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate |
| Molecular Weight: | 501.56 |
| Molecular Formula: | C26 H23 N5 O4 S |
| Smiles: | COC(c1ccc2C(N(C(Nc2c1)=S)c1ccc(cc1)C(N1CCN(CC1)c1ccccn1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1732 |
| logD: | 3.143 |
| logSw: | -3.5513 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.3 |
| InChI Key: | WDQAHSUYMLOHSU-UHFFFAOYSA-N |