Basic information
- Standard SMILES
CC(C)c1cc(N2CCCN(Cc3csc(-c4ccccc4)n3)CC2)c2ncccc2c1- InChIKey
FZQAFCULTYDVIQ-UHFFFAOYSA-N- Molecular formula
- C27H30N4S
- Average molar mass
- 442.6 g/mol
Names & identifiers
- Preferred name
- 6-Isopropyl-8-[4-(2-phenyl-thiazol-4-ylmethyl)-[1,4]diazepan-1-yl]-quinoline
- IUPAC
- 2-phenyl-4-[[4-(6-propan-2-ylquinolin-8-yl)-1,4-diazepan-1-yl]methyl]-1,3-thiazole
Names & synonyms
SCHEMBL1063925FZQAFCULTYDVIQ-UHFFFAOYSA-N6-Isopropyl-8-[4-(2-phenyl-thiazol-4-ylmethyl)-[1,4]diazepan-1-yl]-quinoline
Database identifiers
- PubChem CID
- 59366169
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 60.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 580
Related reactions
3 records
Compound notes
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