3,3'-(ethane-1,2-diyl)bis[2-({2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}sulfanyl)quinazolin-4(3H)-one]
Chemical Structure Depiction of
3,3'-(ethane-1,2-diyl)bis[2-({2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}sulfanyl)quinazolin-4(3H)-one]
3,3'-(ethane-1,2-diyl)bis[2-({2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}sulfanyl)quinazolin-4(3H)-one]
Compound characteristics
| Compound ID: | K284-7600 |
| Compound Name: | 3,3'-(ethane-1,2-diyl)bis[2-({2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}sulfanyl)quinazolin-4(3H)-one] |
| Molecular Weight: | 847.03 |
| Molecular Formula: | C44 H46 N8 O6 S2 |
| Smiles: | COc1ccccc1N1CCN(CC1)C(CSC1=Nc2ccccc2C(N1CCN1C(=Nc2ccccc2C1=O)SCC(N1CCN(CC1)c1ccccc1OC)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4696 |
| logD: | 4.4695 |
| logSw: | -4.3872 |
| Hydrogen bond acceptors count: | 14 |
| Polar surface area: | 105.496 |
| InChI Key: | POETWKUHHGIHQK-UHFFFAOYSA-N |