methyl 3-[3-({3-[4-(4-fluorophenyl)piperazin-1-yl]propyl}amino)-3-oxopropyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Chemical Structure Depiction of
methyl 3-[3-({3-[4-(4-fluorophenyl)piperazin-1-yl]propyl}amino)-3-oxopropyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
methyl 3-[3-({3-[4-(4-fluorophenyl)piperazin-1-yl]propyl}amino)-3-oxopropyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Compound characteristics
| Compound ID: | F207-0210 |
| Compound Name: | methyl 3-[3-({3-[4-(4-fluorophenyl)piperazin-1-yl]propyl}amino)-3-oxopropyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate |
| Molecular Weight: | 527.62 |
| Molecular Formula: | C26 H30 F N5 O4 S |
| Smiles: | COC(c1ccc2C(N(CCC(NCCCN3CCN(CC3)c3ccc(cc3)F)=O)C(Nc2c1)=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.61 |
| logD: | 2.0238 |
| logSw: | -3.2652 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.026 |
| InChI Key: | PWVFFJKSSAIFKY-UHFFFAOYSA-N |