Basic information
- Standard SMILES
CCc1cc2c(s1)-n1c(C3CCCCC3)nnc1C(N)N=C2c1ccccc1Cl- InChIKey
PFNCXOCTXBBSNL-UHFFFAOYSA-N- Molecular formula
- C22H24ClN5S
- Average molar mass
- 426 g/mol
Names & identifiers
- Preferred name
- 6-amino-4-(2-chlorophenyl)-9-cyclohexyl-2-ethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepine
- IUPAC
- 7-(2-chlorophenyl)-13-cyclohexyl-4-ethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-9-amine
Names & synonyms
SCHEMBL8878366PFNCXOCTXBBSNL-UHFFFAOYSA-N6-amino-4-(2-chlorophenyl)-9-cyclohexyl-2-ethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepine
Database identifiers
- PubChem CID
- 18917574
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 97.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 612
Related reactions
7 records
Compound notes
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