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161806-43-5 | 1H-Indole-3-butanamide, N-[4-(2-amino-4,5-dihydro-4-thiazolyl)phenyl]-
CAS No: 161806-43-5 Catalog No: AG001VWN MDL No:
Product Description
Catalog Number:
AG001VWN
Chemical Name:
1H-Indole-3-butanamide, N-[4-(2-amino-4,5-dihydro-4-thiazolyl)phenyl]-
CAS Number:
161806-43-5
Molecular Formula:
C21H22N4OS
Molecular Weight:
378.4906
IUPAC Name:
N-[4-(2-amino-4,5-dihydro-1,3-thiazol-4-yl)phenyl]-4-(1H-indol-3-yl)butanamide
InChI:
InChI=1S/C21H22N4OS/c22-21-25-19(13-27-21)14-8-10-16(11-9-14)24-20(26)7-3-4-15-12-23-18-6-2-1-5-17(15)18/h1-2,5-6,8-12,19,23H,3-4,7,13H2,(H2,22,25)(H,24,26)
InChI Key:
LDBRTKUVBPJCHD-UHFFFAOYSA-N
SMILES:
O=C(Nc1ccc(cc1)C1CSC(=N1)N)CCCc1c[nH]c2c1cccc2
Properties
Complexity:
546
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
378.151g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
378.494g/mol
Monoisotopic Mass:
378.151g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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