methyl 3-[2-({3-[4-(4-fluorophenyl)piperazin-1-yl]propyl}amino)-2-oxoethyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Chemical Structure Depiction of
methyl 3-[2-({3-[4-(4-fluorophenyl)piperazin-1-yl]propyl}amino)-2-oxoethyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
methyl 3-[2-({3-[4-(4-fluorophenyl)piperazin-1-yl]propyl}amino)-2-oxoethyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Compound characteristics
| Compound ID: | F207-0141 |
| Compound Name: | methyl 3-[2-({3-[4-(4-fluorophenyl)piperazin-1-yl]propyl}amino)-2-oxoethyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate |
| Molecular Weight: | 513.59 |
| Molecular Formula: | C25 H28 F N5 O4 S |
| Smiles: | COC(c1ccc2C(N(CC(NCCCN3CCN(CC3)c3ccc(cc3)F)=O)C(Nc2c1)=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4509 |
| logD: | 1.8648 |
| logSw: | -3.1137 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.048 |
| InChI Key: | VGNKTQADGFCLBS-UHFFFAOYSA-N |