methyl 3-[2-({3-[4-(3-chlorophenyl)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-(3-chlorophenyl)piperazin-1-yl]propyl}amino)-2-oxoethyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
methyl 3-[2-({3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}amino)-2-oxoethyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Compound characteristics
| Compound ID: | F207-0125 |
| Compound Name: | methyl 3-[2-({3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}amino)-2-oxoethyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate |
| Molecular Weight: | 530.05 |
| Molecular Formula: | C25 H28 Cl N5 O4 S |
| Smiles: | COC(c1ccc2C(N(CC(NCCCN3CCN(CC3)c3cccc(c3)[Cl])=O)C(Nc2c1)=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8839 |
| logD: | 2.2978 |
| logSw: | -3.6469 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.048 |
| InChI Key: | XCAZPTMZEKPXJB-UHFFFAOYSA-N |