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Basic information
- Standard SMILES
O=C(c1ccc2c(c1)CCN(Cc1ccccc1)C2)N1CC(N2CCN(C(=O)c3nccs3)CC2)C1- InChIKey
LAGGWUNLSDVYAZ-UHFFFAOYSA-N- Molecular formula
- C28H31N5O2S
- Average molar mass
- 501.6 g/mol
Names & identifiers
- Preferred name
- 2-Benzyl-6-({3-[4-(1,3-thiazol-2-ylcarbonyl)piperazin-1-yl]azetidin-1-yl}carbonyl)-1,2,3,4-tetrahydroisoquinoline
- IUPAC
- (2-benzyl-3,4-dihydro-1H-isoquinolin-6-yl)-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone
Names & synonyms
SCHEMBL912416LAGGWUNLSDVYAZ-UHFFFAOYSA-N2-Benzyl-6-({3-[4-(1,3-thiazol-2-ylcarbonyl)piperazin-1-yl]azetidin-1-yl}carbonyl)-1,2,3,4-tetrahydroisoquinoline
Database identifiers
- PubChem CID
- 59625837
Properties
Computed structural propertiesFilling in
- XLogP
- 2.9
- Topological polar surface area
- 88.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 778
Related reactions
8 records
Compound notes
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