Basic information
- CAS
393101-98-9- Standard SMILES
O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCN(Cc2n[nH]nc2CN2CCOCC2)C[C@H]1Cc1c[nH]c2ccccc12- InChIKey
SXASYKWUZQHLET-HSZRJFAPSA-N- Molecular formula
- C30H31F6N7O2
- Average molar mass
- 635.6 g/mol
- Monoisotopic mass
- 635.24434223
Names & identifiers
- Preferred name
- SLV-317 free base
- IUPAC
- [3,5-bis(trifluoromethyl)phenyl]-[(2R)-2-(1H-indol-3-ylmethyl)-4-[[5-(morpholin-4-ylmethyl)-2H-triazol-4-yl]methyl]piperazin-1-yl]methanone
Names & synonyms
SLV-317 free baseSlv-317(free base)WPL66843QN393101-98-9(3,5-Bis(trifluoromethyl)phenyl)-((2R)-2-(1H-indol-3-ylmethyl)-4-((5-(morpholinomethyl)-2H-triazol-4-yl)methyl)piperazin-1-yl)methanoneMethanone, (3,5-bis(trifluoromethyl)phenyl)((2R)-2-(1H-indol-3-ylmethyl)-4-((5-(4-morpholinylmethyl)-2H-1,2,3-triazol-4-yl)methyl)-1-piperazinyl)-Piperazine, 1-(3,5-bis(trifluoromethyl)benzoyl)-2-(1H-indol-3-ylmethyl)-4-((5-(4-morpholinylmethyl)-2H-1,2,3-triazol-4-yl)methyl)-, (2R)-UNII-WPL66843QNSCHEMBL5435467SXASYKWUZQHLET-HSZRJFAPSA-N
Database identifiers
- CAS
393101-98-9- PubChem CID
- 11635932
- UNII
- WPL66843QN
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 93.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 7
- Heavy atoms
- 45
- Formal charge
- 0
- Complexity
- 977
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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