Basic information
- Standard SMILES
O=C(CCCC[C@@H]1SCC2NC(=O)NC21)NCCCNC(=O)Cn1nc(-c2ccccc2)c2c(Cl)c(-c3ccccc3)nnc21- InChIKey
YOCMJNFXLJCLFM-VLXMWBNISA-N- Molecular formula
- C32H35ClN8O3S
- Average molar mass
- 647.2 g/mol
Names & identifiers
- Preferred name
- N-(3-(2-(4-chloro-3,5-diphenyl-1H-pyrazolo[3,4-c]pyridazin-1-yl)acetamido)propyl)-5-((4S)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanamide
- IUPAC
- N-[3-[[2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)acetyl]amino]propyl]-5-[(4S)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanamide
Names & synonyms
SCHEMBL15261297YOCMJNFXLJCLFM-VLXMWBNISA-NN-(3-(2-(4-chloro-3,5-diphenyl-1H-pyrazolo[3,4-c]pyridazin-1-yl)acetamido)propyl)-5-((4S)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanamide
Database identifiers
- PubChem CID
- 86697019
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 168 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 13
- Heavy atoms
- 45
- Formal charge
- 0
- Complexity
- 1,010
Related reactions
2 records
Compound notes
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