2-{[(2,4-dimethylphenyl)methyl]sulfanyl}-3-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]quinazolin-4(3H)-one
Chemical Structure Depiction of
2-{[(2,4-dimethylphenyl)methyl]sulfanyl}-3-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]quinazolin-4(3H)-one
2-{[(2,4-dimethylphenyl)methyl]sulfanyl}-3-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]quinazolin-4(3H)-one
Compound characteristics
| Compound ID: | K284-3075 |
| Compound Name: | 2-{[(2,4-dimethylphenyl)methyl]sulfanyl}-3-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]quinazolin-4(3H)-one |
| Molecular Weight: | 512.67 |
| Molecular Formula: | C30 H32 N4 O2 S |
| Smiles: | Cc1ccc(CSC2=Nc3ccccc3C(N2CCC(N2CCN(CC2)c2ccccc2)=O)=O)c(C)c1 |
| Stereo: | ACHIRAL |
| logP: | 5.0802 |
| logD: | 5.0802 |
| logSw: | -4.8427 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 45.402 |
| InChI Key: | WUPATFLGRBXJQC-UHFFFAOYSA-N |