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937599-65-0 | 3-PHENYL-6-THIEN-2-YLISOXAZOLO[5,4-B]PYRIDINE-4-CARBOHYDRAZIDE
CAS No: 937599-65-0 Catalog No: AG01AO84 MDL No:MFCD08558210
Product Description
Catalog Number:
AG01AO84
Chemical Name:
3-PHENYL-6-THIEN-2-YLISOXAZOLO[5,4-B]PYRIDINE-4-CARBOHYDRAZIDE
CAS Number:
937599-65-0
Molecular Formula:
C17H12N4O2S
Molecular Weight:
336.3678
MDL Number:
MFCD08558210
IUPAC Name:
3-phenyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carbohydrazide
InChI:
InChI=1S/C17H12N4O2S/c18-20-16(22)11-9-12(13-7-4-8-24-13)19-17-14(11)15(21-23-17)10-5-2-1-3-6-10/h1-9H,18H2,(H,20,22)
InChI Key:
PDJGLWJHDJGIRC-UHFFFAOYSA-N
SMILES:
NNC(=O)c1cc(nc2c1c(no2)c1ccccc1)c1cccs1
Properties
Complexity:
460
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
336.068g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
336.369g/mol
Monoisotopic Mass:
336.068g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
122A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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