Basic information
- Standard SMILES
CC(C)N1CCN(C(=O)c2ccc3c(c2)cc(C(=O)N2CCOCC2)n3-c2ccc(C#N)cc2)CC1- InChIKey
AMWIBENNJGNTHO-UHFFFAOYSA-N- Molecular formula
- C28H31N5O3
- Average molar mass
- 485.6 g/mol
Names & identifiers
- Preferred name
- 4-[5-(4-Isopropyl-piperazine-1-carbonyl)-2-(morpholine-4-carbonyl)-indol-1-yl]-benzonitrile
- IUPAC
- 4-[2-(morpholine-4-carbonyl)-5-(4-propan-2-ylpiperazine-1-carbonyl)indol-1-yl]benzonitrile
Names & synonyms
SCHEMBL3536554AMWIBENNJGNTHO-UHFFFAOYSA-N4-[5-(4-Isopropyl-piperazine-1-carbonyl)-2-(morpholine-4-carbonyl)-indol-1-yl]-benzonitrile
Database identifiers
- PubChem CID
- 68680757
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 81.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 833
Related reactions
3 records
Compound notes
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