3-[2-(azepan-1-yl)-6,8-dimethyl-4-phenylpyrazolo[1,5-a:3,4-d']dipyrimidin-7-yl]propanoic acid
Chemical Structure Depiction of
3-[2-(azepan-1-yl)-6,8-dimethyl-4-phenylpyrazolo[1,5-a:3,4-d']dipyrimidin-7-yl]propanoic acid
3-[2-(azepan-1-yl)-6,8-dimethyl-4-phenylpyrazolo[1,5-a:3,4-d']dipyrimidin-7-yl]propanoic acid
Compound characteristics
| Compound ID: | C282-0003 |
| Compound Name: | 3-[2-(azepan-1-yl)-6,8-dimethyl-4-phenylpyrazolo[1,5-a:3,4-d']dipyrimidin-7-yl]propanoic acid |
| Molecular Weight: | 444.54 |
| Molecular Formula: | C25 H28 N6 O2 |
| Smiles: | Cc1c(CCC(O)=O)c(C)n2c(c3c(c4ccccc4)nc(nc3n2)N2CCCCCC2)n1 |
| Stereo: | ACHIRAL |
| logP: | 4.5261 |
| logD: | 1.6994 |
| logSw: | -4.4437 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.744 |
| InChI Key: | NIFAXSBJGRCEAW-UHFFFAOYSA-N |