ethyl 2-[(1,3-benzoxazol-2-yl)amino]-4-[(4-phenylpiperazin-1-yl)methyl]pyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 2-[(1,3-benzoxazol-2-yl)amino]-4-[(4-phenylpiperazin-1-yl)methyl]pyrimidine-5-carboxylate
ethyl 2-[(1,3-benzoxazol-2-yl)amino]-4-[(4-phenylpiperazin-1-yl)methyl]pyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | 7377-5532 |
| Compound Name: | ethyl 2-[(1,3-benzoxazol-2-yl)amino]-4-[(4-phenylpiperazin-1-yl)methyl]pyrimidine-5-carboxylate |
| Molecular Weight: | 458.52 |
| Molecular Formula: | C25 H26 N6 O3 |
| Smiles: | CCOC(c1cnc(Nc2nc3ccccc3o2)nc1CN1CCN(CC1)c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2109 |
| logD: | 4.0863 |
| logSw: | -3.9044 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.785 |
| InChI Key: | HFQJZJGEARJFHZ-UHFFFAOYSA-N |