N-(2,5-dimethoxyphenyl)-2-({4-oxo-3-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-3,4-dihydroquinazolin-2-yl}sulfanyl)acetamide
Chemical Structure Depiction of
N-(2,5-dimethoxyphenyl)-2-({4-oxo-3-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-3,4-dihydroquinazolin-2-yl}sulfanyl)acetamide
N-(2,5-dimethoxyphenyl)-2-({4-oxo-3-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-3,4-dihydroquinazolin-2-yl}sulfanyl)acetamide
Compound characteristics
| Compound ID: | K284-3104 |
| Compound Name: | N-(2,5-dimethoxyphenyl)-2-({4-oxo-3-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-3,4-dihydroquinazolin-2-yl}sulfanyl)acetamide |
| Molecular Weight: | 587.7 |
| Molecular Formula: | C31 H33 N5 O5 S |
| Smiles: | COc1ccc(c(c1)NC(CSC1=Nc2ccccc2C(N1CCC(N1CCN(CC1)c1ccccc1)=O)=O)=O)OC |
| Stereo: | ACHIRAL |
| logP: | 3.0729 |
| logD: | 3.0726 |
| logSw: | -3.667 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.028 |
| InChI Key: | BJTGQNXXGOPYTM-UHFFFAOYSA-N |