3-[(2H-1,3-benzodioxol-5-yl)methyl]-1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyrido[3,2-d]pyrimidine-2,4(1H,3H)-dione
Chemical Structure Depiction of
3-[(2H-1,3-benzodioxol-5-yl)methyl]-1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyrido[3,2-d]pyrimidine-2,4(1H,3H)-dione
3-[(2H-1,3-benzodioxol-5-yl)methyl]-1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyrido[3,2-d]pyrimidine-2,4(1H,3H)-dione
Compound characteristics
| Compound ID: | F521-0183 |
| Compound Name: | 3-[(2H-1,3-benzodioxol-5-yl)methyl]-1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyrido[3,2-d]pyrimidine-2,4(1H,3H)-dione |
| Molecular Weight: | 499.53 |
| Molecular Formula: | C27 H25 N5 O5 |
| Smiles: | C1CN(CCN1C(CN1C(N(Cc2ccc3c(c2)OCO3)C(c2c1cccn2)=O)=O)=O)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 2.4366 |
| logD: | 2.4365 |
| logSw: | -2.8138 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 77.944 |
| InChI Key: | FOKFEICGUMBLMW-UHFFFAOYSA-N |