2-{[(3-nitrophenyl)methyl]sulfanyl}-3-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]quinazolin-4(3H)-one
Chemical Structure Depiction of
2-{[(3-nitrophenyl)methyl]sulfanyl}-3-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]quinazolin-4(3H)-one
2-{[(3-nitrophenyl)methyl]sulfanyl}-3-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]quinazolin-4(3H)-one
Compound characteristics
Compound ID: | K284-3074 |
Compound Name: | 2-{[(3-nitrophenyl)methyl]sulfanyl}-3-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]quinazolin-4(3H)-one |
Molecular Weight: | 529.62 |
Molecular Formula: | C28 H27 N5 O4 S |
Smiles: | C(CN1C(=Nc2ccccc2C1=O)SCc1cccc(c1)[N+]([O-])=O)C(N1CCN(CC1)c1ccccc1)=O |
Stereo: | ACHIRAL |
logP: | 3.8537 |
logD: | 3.8537 |
logSw: | -4.1266 |
Hydrogen bond acceptors count: | 10 |
Polar surface area: | 78.784 |
InChI Key: | BAKMYPZHZMSDEE-UHFFFAOYSA-N |