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104795-67-7 | 3-ISOPROPOXY-5-METHOXY-N-(1H-TETRAZOL-5-YL)BENZO[B]THIOPHENE-2-CARBOXAMIDE--1H-IMIDAZOLE (1:1)
CAS No: 104795-67-7 Catalog No: AG0085OQ MDL No:
Product Description
Catalog Number:
AG0085OQ
Chemical Name:
3-ISOPROPOXY-5-METHOXY-N-(1H-TETRAZOL-5-YL)BENZO[B]THIOPHENE-2-CARBOXAMIDE--1H-IMIDAZOLE (1:1)
CAS Number:
104795-67-7
Molecular Formula:
C17H19N7O3S
Molecular Weight:
401.4429
IUPAC Name:
1H-imidazole;5-methoxy-3-propan-2-yloxy-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide
InChI:
InChI=1S/C14H15N5O3S.C3H4N2/c1-7(2)22-11-9-6-8(21-3)4-5-10(9)23-12(11)13(20)15-14-16-18-19-17-14;1-2-5-3-4-1/h4-7H,1-3H3,(H2,15,16,17,18,19,20);1-3H,(H,4,5)
InChI Key:
LEJOXPGKGLTJOS-UHFFFAOYSA-N
SMILES:
c1ncc[nH]1.COc1ccc2c(c1)c(OC(C)C)c(s2)C(=O)Nc1nnn[nH]1
Properties
Complexity:
455
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
401.127g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
401.445g/mol
Monoisotopic Mass:
401.127g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
159A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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