N-(5-(benzo[d]thiazol-2-yl)-1,2,3,4-tetrahydroisoquinolin-7-yl)acetamide
Basic information
- CAS
1410784-54-1- Standard SMILES
CC(=O)Nc1cc2c(c(-c3nc4ccccc4s3)c1)CCNC2- InChIKey
URGNVLDDRDNOLU-UHFFFAOYSA-N- Molecular formula
- C18H17N3OS
- Average molar mass
- 323.4 g/mol
- Monoisotopic mass
- 323.10923335
Names & identifiers
- Preferred name
- N-(5-(benzo[d]thiazol-2-yl)-1,2,3,4-tetrahydroisoquinolin-7-yl)acetamide
- IUPAC
- N-[5-(1,3-benzothiazol-2-yl)-1,2,3,4-tetrahydroisoquinolin-7-yl]acetamide
Names & synonyms
SCHEMBL13833744URGNVLDDRDNOLU-UHFFFAOYSA-NDTXSID901152247Acetamide, N-[5-(2-benzothiazolyl)-1,2,3,4-tetrahydro-7-isoquinolinyl]-N-(5-(benzo[d]thiazol-2-yl)-1,2,3,4-tetrahydroisoquinolin-7-yl)acetamideN-[5-(1,3-benzothiazol-2-yl)-1,2,3,4-tetrahydroisoquinolin-7-yl]acetamide1410784-54-1
Database identifiers
- CAS
1410784-54-1- PubChem CID
- 71007464
- DTXSID
DTXSID901152247
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 82.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 446
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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