2-(4-fluorobenzamido)-5-[4-(pyrimidin-2-yl)-1,4-diazepan-1-yl]benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
2-(4-fluorobenzamido)-5-[4-(pyrimidin-2-yl)-1,4-diazepan-1-yl]benzoic acid--trifluoroacetic acid (1/1)
2-(4-fluorobenzamido)-5-[4-(pyrimidin-2-yl)-1,4-diazepan-1-yl]benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F685-0255 |
| Compound Name: | 2-(4-fluorobenzamido)-5-[4-(pyrimidin-2-yl)-1,4-diazepan-1-yl]benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 549.48 |
| Molecular Formula: | C23 H22 F N5 O3 |
| Salt: | CF3COOH |
| Smiles: | C1CN(CCN(C1)c1ncccn1)c1ccc(c(c1)C(O)=O)NC(c1ccc(cc1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6305 |
| logD: | -0.4857 |
| logSw: | -3.9386 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.446 |
| InChI Key: | FWGIUXAEAYPVHZ-UHFFFAOYSA-N |