ethyl 4-[2-({4-oxo-3-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-3,4-dihydroquinazolin-2-yl}sulfanyl)acetamido]benzoate
Chemical Structure Depiction of
ethyl 4-[2-({4-oxo-3-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-3,4-dihydroquinazolin-2-yl}sulfanyl)acetamido]benzoate
ethyl 4-[2-({4-oxo-3-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-3,4-dihydroquinazolin-2-yl}sulfanyl)acetamido]benzoate
Compound characteristics
| Compound ID: | K284-3093 |
| Compound Name: | ethyl 4-[2-({4-oxo-3-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-3,4-dihydroquinazolin-2-yl}sulfanyl)acetamido]benzoate |
| Molecular Weight: | 599.71 |
| Molecular Formula: | C32 H33 N5 O5 S |
| Smiles: | CCOC(c1ccc(cc1)NC(CSC1=Nc2ccccc2C(N1CCC(N1CCN(CC1)c1ccccc1)=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9909 |
| logD: | 3.9908 |
| logSw: | -4.0634 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.305 |
| InChI Key: | HBYHCTCDJVXEOU-UHFFFAOYSA-N |