methyl 3-{4-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]phenyl}-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Chemical Structure Depiction of
methyl 3-{4-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]phenyl}-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
methyl 3-{4-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]phenyl}-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Compound characteristics
| Compound ID: | F207-0322 |
| Compound Name: | methyl 3-{4-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]phenyl}-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(C(Nc2c1)=S)c1ccc(CC(N2CCN(CC2)Cc2ccccc2)=O)cc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4659 |
| logD: | 3.4151 |
| logSw: | -3.7894 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.542 |
| InChI Key: | TUFVBYWAMMZQBM-UHFFFAOYSA-N |