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Home > Pyridines > 930041-48-8
930041-48-8 | N'-(4-tert-butylbenzoyl)-4-[(pyridin-4-yl)methyl]piperazine-1-carbohydrazide
CAS No: 930041-48-8 Catalog No: AG01B3YA MDL No:MFCD09289759
Product Description
Catalog Number:
AG01B3YA
Chemical Name:
N'-(4-tert-butylbenzoyl)-4-[(pyridin-4-yl)methyl]piperazine-1-carbohydrazide
CAS Number:
930041-48-8
Molecular Formula:
C22H29N5O2
Molecular Weight:
395.4980
MDL Number:
MFCD09289759
IUPAC Name:
N'-(4-tert-butylbenzoyl)-4-(pyridin-4-ylmethyl)piperazine-1-carbohydrazide
InChI:
InChI=1S/C22H29N5O2/c1-22(2,3)19-6-4-18(5-7-19)20(28)24-25-21(29)27-14-12-26(13-15-27)16-17-8-10-23-11-9-17/h4-11H,12-16H2,1-3H3,(H,24,28)(H,25,29)
InChI Key:
KKAZRRIJJHNOSZ-UHFFFAOYSA-N
SMILES:
O=C(N1CCN(CC1)Cc1ccncc1)NNC(=O)c1ccc(cc1)C(C)(C)C
Properties
Complexity:
540
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
395.232g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
395.507g/mol
Monoisotopic Mass:
395.232g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
77.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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