We 1008

Substructure search Find similar structures

Basic information

CAS: 71547-95-0
Standard SMILES: Clc1ccccc1C1=NCc2nnc(C3CCOCC3)n2-c2sc(Br)cc21
InChIKey: GALDCNVZNXARAF-UHFFFAOYSA-N
Molecular formula: C19H16BrClN4OS
Average molar mass: 463.8 g/mol
Monoisotopic mass: 461.99167

Names & identifiers

Preferred name: We 1008
IUPAC: 4-bromo-7-(2-chlorophenyl)-13-(oxan-4-yl)-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaene

Names & synonyms

We 100871547-95-0We-1008DTXSID90221782RefChem:194798DTXCID201442738-Bromo-6-(ortho-chlorophenyl)-1-tetrahydro-4-pyranyl-4H-5-triazolo(3,4-c)thieno(2,3-e)-1,4-diazepine4-Bromo-7-(2-chlorophenyl)-13-(oxan-4-yl)-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaene6H-Thieno(3,2-f)(1,2,4)triazolo(4,3-a)(1,1)diazepine, 2-bromo-4-(2-chlorophenyl)-6a.7-dihydro-9-(tetrahydro-2H-pyran-4-yl)-2-Bromo-4-(2-chlorophenyl)-9-(oxan-4-yl)-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepine

Database identifiers

CAS: 71547-95-0
PubChem CID: 3085494
DTXSID: DTXSID90221782

Properties

Computed structural properties

XLogP: 2.8
Topological polar surface area: 80.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 5
Rotatable bonds: 2
Heavy atoms: 27
Formal charge: 0
Complexity: 578

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Compound notes

Loading…