methyl 3-[4-({2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl}amino)-4-oxobutyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Chemical Structure Depiction of
methyl 3-[4-({2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl}amino)-4-oxobutyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
methyl 3-[4-({2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl}amino)-4-oxobutyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Compound characteristics
| Compound ID: | F207-0276 |
| Compound Name: | methyl 3-[4-({2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl}amino)-4-oxobutyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate |
| Molecular Weight: | 544.07 |
| Molecular Formula: | C26 H30 Cl N5 O4 S |
| Smiles: | COC(c1ccc2C(N(CCCC(NCCN3CCN(CC3)c3cccc(c3)[Cl])=O)C(Nc2c1)=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6666 |
| logD: | 2.5386 |
| logSw: | -3.7122 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.026 |
| InChI Key: | HQNFUGBYOCAYEQ-UHFFFAOYSA-N |