1-{4-[7-(4-fluorophenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperazin-1-yl}-3-(3-methoxyphenyl)prop-2-en-1-one
Chemical Structure Depiction of
1-{4-[7-(4-fluorophenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperazin-1-yl}-3-(3-methoxyphenyl)prop-2-en-1-one
1-{4-[7-(4-fluorophenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperazin-1-yl}-3-(3-methoxyphenyl)prop-2-en-1-one
Compound characteristics
| Compound ID: | D434-0167 |
| Compound Name: | 1-{4-[7-(4-fluorophenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperazin-1-yl}-3-(3-methoxyphenyl)prop-2-en-1-one |
| Molecular Weight: | 533.61 |
| Molecular Formula: | C32 H28 F N5 O2 |
| Smiles: | COc1cccc(/C=C/C(N2CCN(CC2)c2c3c(cn(c4ccc(cc4)F)c3ncn2)c2ccccc2)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 6.2315 |
| logD: | 6.1236 |
| logSw: | -5.858 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 49.685 |
| InChI Key: | XGHCFMCSRWABMP-UHFFFAOYSA-N |