4-((3,4-dihydroisoquinolin-2(1H)-yl)sulfonyl)-N-(4-ethylbenzo[d]thiazol-2-yl)benzamide
Basic information
- CAS
892843-65-1- Standard SMILES
CCc1cccc2sc(NC(=O)c3ccc(S(=O)(=O)N4CCc5ccccc5C4)cc3)nc12- InChIKey
TZQCZVIPSCXWNQ-UHFFFAOYSA-N- Molecular formula
- C25H23N3O3S2
- Average molar mass
- 477.6 g/mol
- Monoisotopic mass
- 477.11808395
Names & identifiers
- Preferred name
- 4-((3,4-dihydroisoquinolin-2(1H)-yl)sulfonyl)-N-(4-ethylbenzo[d]thiazol-2-yl)benzamide
- IUPAC
- 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(4-ethyl-1,3-benzothiazol-2-yl)benzamide
Names & synonyms
892843-65-14-((3,4-dihydroisoquinolin-2(1H)-yl)sulfonyl)-N-(4-ethylbenzo[d]thiazol-2-yl)benzamide4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(4-ethyl-1,3-benzothiazol-2-yl)benzamide4-[(3,4-Dihydro-2(1H)-isoquinolinyl)sulfonyl]-N-(4-ethyl-2-benzothiazolyl)benzamideDTXSID501130542AKOS024611982F1822-04094-(3,4-Dihydroisoquinoline-2(1H)-sulfonyl)-N-(4-ethyl-1,3-benzothiazol-2-yl)benzamideN-(4-ethyl-1,3-benzothiazol-2-yl)-4-(1,2,3,4-tetrahydroisoquinoline-2-sulfonyl)benzamide
Database identifiers
- CAS
892843-65-1- PubChem CID
- 41235372
- DTXSID
DTXSID501130542
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 116 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 793
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…