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477855-81-5 | N'-(2,2-dimethylpropanoyl)-8-methyl-8H-thieno[2,3-b]indole-2-carbohydrazide
CAS No: 477855-81-5 Catalog No: AG00INGJ MDL No:MFCD01814659
Product Description
Catalog Number:
AG00INGJ
Chemical Name:
N'-(2,2-dimethylpropanoyl)-8-methyl-8H-thieno[2,3-b]indole-2-carbohydrazide
CAS Number:
477855-81-5
Molecular Formula:
C17H19N3O2S
Molecular Weight:
329.4167
MDL Number:
MFCD01814659
IUPAC Name:
N'-(2,2-dimethylpropanoyl)-4-methylthieno[2,3-b]indole-2-carbohydrazide
InChI:
InChI=1S/C17H19N3O2S/c1-17(2,3)16(22)19-18-14(21)13-9-11-10-7-5-6-8-12(10)20(4)15(11)23-13/h5-9H,1-4H3,(H,18,21)(H,19,22)
InChI Key:
OFPNXRYXLDNXOP-UHFFFAOYSA-N
SMILES:
O=C(C(C)(C)C)NNC(=O)c1cc2c(s1)n(c1c2cccc1)C
Properties
Complexity:
491
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
329.12g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
329.418g/mol
Monoisotopic Mass:
329.12g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
91.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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