methyl 3-{3-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]propyl}-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Chemical Structure Depiction of
methyl 3-{3-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]propyl}-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
methyl 3-{3-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]propyl}-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Compound characteristics
| Compound ID: | F207-0067 |
| Compound Name: | methyl 3-{3-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]propyl}-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate |
| Molecular Weight: | 466.6 |
| Molecular Formula: | C25 H30 N4 O3 S |
| Smiles: | CC1CN(CCCN2C(c3ccc(cc3NC2=S)C(=O)OC)=O)CCN1c1cccc(C)c1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3617 |
| logD: | 3.9342 |
| logSw: | -4.1712 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.931 |
| InChI Key: | IAUBXSVMQLNOBF-SFHVURJKSA-N |