methyl 3-[2-({2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl}amino)-2-oxoethyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Chemical Structure Depiction of
methyl 3-[2-({2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl}amino)-2-oxoethyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
methyl 3-[2-({2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl}amino)-2-oxoethyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Compound characteristics
| Compound ID: | F207-0142 |
| Compound Name: | methyl 3-[2-({2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl}amino)-2-oxoethyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate |
| Molecular Weight: | 499.56 |
| Molecular Formula: | C24 H26 F N5 O4 S |
| Smiles: | COC(c1ccc2C(N(CC(NCCN3CCN(CC3)c3ccccc3F)=O)C(Nc2c1)=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3557 |
| logD: | 2.3201 |
| logSw: | -3.2041 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.747 |
| InChI Key: | UZKHEYNWPYZXIL-UHFFFAOYSA-N |