methyl 3-[2-(4-cyclohexylpiperazin-1-yl)-2-oxoethyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Chemical Structure Depiction of
methyl 3-[2-(4-cyclohexylpiperazin-1-yl)-2-oxoethyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
methyl 3-[2-(4-cyclohexylpiperazin-1-yl)-2-oxoethyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Compound characteristics
| Compound ID: | F207-0110 |
| Compound Name: | methyl 3-[2-(4-cyclohexylpiperazin-1-yl)-2-oxoethyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate |
| Molecular Weight: | 444.55 |
| Molecular Formula: | C22 H28 N4 O4 S |
| Smiles: | COC(c1ccc2C(N(CC(N3CCN(CC3)C3CCCCC3)=O)C(Nc2c1)=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5409 |
| logD: | 2.3763 |
| logSw: | -3.1095 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.978 |
| InChI Key: | HYHDLWJQXKCJKE-UHFFFAOYSA-N |