Home Other Building Blocks 2-{2-[(5-cyclopropyl-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]propanamido}-4H,5H,6H-cyclopenta[b]thiophene-3-carboxamide

2-{2-[(5-cyclopropyl-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]propanamido}-4H,5H,6H-cyclopenta[b]thiophene-3-carboxamide

CAS No.:
920868-45-7
Catalog Number:
AG01BJ0X
Molecular Formula:
C22H23N5O2S2
Molecular Weight:
453.5803
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Product Description
Catalog Number:
AG01BJ0X
Chemical Name:
2-{2-[(5-cyclopropyl-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]propanamido}-4H,5H,6H-cyclopenta[b]thiophene-3-carboxamide
CAS Number:
920868-45-7
Molecular Formula:
C22H23N5O2S2
Molecular Weight:
453.5803
MDL Number:
MFCD08518594
IUPAC Name:
2-[2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
InChI:
InChI=1S/C22H23N5O2S2/c1-12(20(29)24-21-17(18(23)28)15-8-5-9-16(15)31-21)30-22-26-25-19(13-10-11-13)27(22)14-6-3-2-4-7-14/h2-4,6-7,12-13H,5,8-11H2,1H3,(H2,23,28)(H,24,29)
InChI Key:
MTAWXPCGCQTSOJ-UHFFFAOYSA-N
SMILES:
CC(C(=O)Nc1sc2c(c1C(=O)N)CCC2)Sc1nnc(n1c1ccccc1)C1CC1
Properties
Complexity:
687  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
453.129g/mol
Formal Charge:
0
Heavy Atom Count:
31  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
453.579g/mol
Monoisotopic Mass:
453.129g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
156A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9  
Properties