Basic information
- CAS
72593-35-2- Standard SMILES
O=C(NCCN1CCN2Cc3[nH]c4ccccc4c3CC2C1)c1ccc(F)cc1- InChIKey
QSRPHANIRVEEAC-UHFFFAOYSA-N- Molecular formula
- C23H25FN4O
- Average molar mass
- 392.5 g/mol
- Monoisotopic mass
- 392.2012396
Names & identifiers
- Preferred name
- Benzamide, 4-fluoro-N-(2-(3,4,6,7,12,12a-hexahydropyrazino(1',2':1,6)pyrido(3,4-b)indol-2(1H)-yl)ethyl)-
- IUPAC
- 4-fluoro-N-[2-(3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraen-6-yl)ethyl]benzamide
Names & synonyms
BRN 458539172593-35-2Benzamide, 4-fluoro-N-(2-(3,4,6,7,12,12a-hexahydropyrazino(1',2':1,6)pyrido(3,4-b)indol-2(1H)-yl)ethyl)-RefChem:321732DTXSID409934474-Fluoro-N-[2-(3,4,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indol-2(1H)-yl)ethyl]benzamide
Database identifiers
- CAS
72593-35-2- PubChem CID
- 51633
- DTXSID
DTXSID40993447
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 51.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 581
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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