methyl 3-{[4-(4-benzylpiperazine-1-carbonyl)phenyl]methyl}-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Chemical Structure Depiction of
methyl 3-{[4-(4-benzylpiperazine-1-carbonyl)phenyl]methyl}-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
methyl 3-{[4-(4-benzylpiperazine-1-carbonyl)phenyl]methyl}-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Compound characteristics
| Compound ID: | F207-0489 |
| Compound Name: | methyl 3-{[4-(4-benzylpiperazine-1-carbonyl)phenyl]methyl}-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate |
| Molecular Weight: | 528.63 |
| Molecular Formula: | C29 H28 N4 O4 S |
| Smiles: | COC(c1ccc2C(N(Cc3ccc(cc3)C(N3CCN(CC3)Cc3ccccc3)=O)C(Nc2c1)=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7779 |
| logD: | 3.7612 |
| logSw: | -3.9867 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.68 |
| InChI Key: | WZVVHYKLMJXRTG-UHFFFAOYSA-N |