3-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-7-(4-fluorophenyl)-1H-pyrrolo[3,2-d]pyrimidine-2,4(3H,5H)-dione
Chemical Structure Depiction of
3-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-7-(4-fluorophenyl)-1H-pyrrolo[3,2-d]pyrimidine-2,4(3H,5H)-dione
3-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-7-(4-fluorophenyl)-1H-pyrrolo[3,2-d]pyrimidine-2,4(3H,5H)-dione
Compound characteristics
| Compound ID: | F986-0149 |
| Compound Name: | 3-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-7-(4-fluorophenyl)-1H-pyrrolo[3,2-d]pyrimidine-2,4(3H,5H)-dione |
| Molecular Weight: | 461.5 |
| Molecular Formula: | C25 H24 F N5 O3 |
| Smiles: | C1CN(CCN1Cc1ccccc1)C(CN1C(c2c(c(c[nH]2)c2ccc(cc2)F)NC1=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2744 |
| logD: | 2.2589 |
| logSw: | -3.0897 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.907 |
| InChI Key: | WXPOHKXNWYPBNZ-UHFFFAOYSA-N |