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123970-89-8 | 2H-Tetrazole-5-carboxamide, N-[2-(4-methoxyphenyl)-4-thiazolyl]-
CAS No: 123970-89-8 Catalog No: AG000LAX MDL No:
Product Description
Catalog Number:
AG000LAX
Chemical Name:
2H-Tetrazole-5-carboxamide, N-[2-(4-methoxyphenyl)-4-thiazolyl]-
CAS Number:
123970-89-8
Molecular Formula:
C12H10N6O2S
Molecular Weight:
302.3118
IUPAC Name:
N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2H-tetrazole-5-carboxamide
InChI:
InChI=1S/C12H10N6O2S/c1-20-8-4-2-7(3-5-8)9-6-21-12(13-9)14-11(19)10-15-17-18-16-10/h2-6H,1H3,(H,13,14,19)(H,15,16,17,18)
InChI Key:
DVXTVISMRWNRED-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)c1scc(n1)NC(=O)c1n[nH]nn1
Properties
Complexity:
366
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
302.059g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
302.312g/mol
Monoisotopic Mass:
302.059g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
134A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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