Primary record
CHEMBL4289678
- CAS
- 1355326-35-0
- PubChem CID
- 97161268
- SMILES
- CC1=CC=CC=C1[C@@H](C(=O)NC2CCCCC2)N(C3=CC(=CC=C3)F)C(=O)CN4C=CN=C4C
- Molecular Formula
- C27H31FN4O2
- Molecular Weight
- 462.569
- Exact Mass
- 462.2431
- InChI
- InChI=1S/C27H31FN4O2/c1-19-9-6-7-14-24(19)26(27(34)30-22-11-4-3-5-12-22)32(23-13-8-10-21(28)17-23)25(33)18-31-16-15-29-20(31)2/h6-10,13-17,22,26H,3-5,11-12,18H2,1-2H3,(H,30,34)/t26-/m0/s1
- InChIKey
- FNYGWXSATBUBER-SANMLTNESA-N
- LogP
- 4.8624
- TPSA
- 67.23
Names and synonyms
- CHEMBL4289678
- BDBM50465387
- ZINC94568744
- NCGC00356773-01
- A12902
- 1355326-35-0