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100826-98-0,MFCD23160230
Catalog No.:AA0002VG

100826-98-0 | 6H-Thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepine-2-propanoic acid, 4-(2-chlorophenyl)-9-methyl-

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Technical Information
Catalog Number:
AA0002VG
Chemical Name:
6H-Thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepine-2-propanoic acid, 4-(2-chlorophenyl)-9-methyl-
CAS Number:
100826-98-0
Molecular Formula:
C18H15ClN4O2S
Molecular Weight:
386.8553
MDL Number:
MFCD23160230
SMILES:
OC(=O)CCc1sc2c(c1)C(=NCc1n2c(C)nn1)c1ccccc1Cl
Properties
Computed Properties
 
Complexity:
577  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
26  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
4  
XLogP3:
1.6  

Literature
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SDS
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Tags:100826-98-0 Molecular Formula|100826-98-0 MDL|100826-98-0 SMILES|100826-98-0 6H-Thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepine-2-propanoic acid, 4-(2-chlorophenyl)-9-methyl-