6-o-chlorophenyl-8-ethyl-4H-tetrazolo[5,1-c]thieno[2,3-e] [1,4]diazepine

HCID 54535549
NotesReactions
Substructure searchFind similar structures

Basic information

Standard SMILES
CCc1cc2c(s1)-n1nnnc1CN=C2c1ccccc1Cl
InChIKey
YZNGTZXDNJUSPE-UHFFFAOYSA-N
Molecular formula
C15H12ClN5S
Average molar mass
329.8 g/mol
Monoisotopic mass
329.0501943

Names & identifiers

Preferred name
6-o-chlorophenyl-8-ethyl-4H-tetrazolo[5,1-c]thieno[2,3-e] [1,4]diazepine
IUPAC
7-(2-chlorophenyl)-4-ethyl-3-thia-1,8,11,12,13-pentazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaene

Names & synonyms

SCHEMBL11863059YZNGTZXDNJUSPE-UHFFFAOYSA-N6-o-chlorophenyl-8-ethyl-4H-tetrazolo[5,1-c]thieno[2,3-e] [1,4]diazepine

Database identifiers

PubChem CID
54535549

Properties

Computed structural properties

XLogP
3.8
Topological polar surface area
84.2 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
2
Heavy atoms
22

Related reactions

1 records
New reaction record

Compound notes

Loading…