Basic information
- Standard SMILES
CC[C@H]1c2[nH]c3ccccc3c2C[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)N21- InChIKey
SBUXRMKDJWEXRL-ZWKOTPCHSA-N- Molecular formula
- C21H18FN3O2
- Average molar mass
- 363.4 g/mol
Names & identifiers
- Preferred name
- trans-Body
- IUPAC
- (10S,15R)-10-ethyl-13-(4-fluorophenyl)-8,11,13-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6-tetraene-12,14-dione
Names & synonyms
trans bodytrans-bodyMLS000697754CHEMBL1705141SCHEMBL29352189SBUXRMKDJWEXRL-ZWKOTPCHSA-NHMS2268G14SMR001215950
Database identifiers
- PubChem CID
- 24978618
- ChEMBL
CHEMBL1705141
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 56.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 621
Related reactions
2 records
Compound notes
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