methyl 3-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Chemical Structure Depiction of
methyl 3-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
methyl 3-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Compound characteristics
| Compound ID: | F207-0120 |
| Compound Name: | methyl 3-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate |
| Molecular Weight: | 452.53 |
| Molecular Formula: | C23 H24 N4 O4 S |
| Smiles: | COC(c1ccc2C(N(CC(N3CCN(CC3)Cc3ccccc3)=O)C(Nc2c1)=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2001 |
| logD: | 2.1825 |
| logSw: | -3.2029 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.425 |
| InChI Key: | YCGVVVZPGBGXRC-UHFFFAOYSA-N |