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Chemical ID: 4091950
Chemical ID:
4091950
Name [?]:
N1',N4'-ditert-butylbenzene-1,4-dicarbohydrazide
SMILES [?]:
CC(C)(C)NNC(=O)c1ccc(cc1)C(=O)NNC(C)(C)C
InChi [?]:
InChI=1/C16H26N4O2/c1-15(2,3)19-17-13(21)11-7-9-12(10-8-11)14(22)18-20-16(4,5)6/h7-10,19-20H,1-6H3,(H,17,21)(H,18,22)
InChi Info:
AuxInfo=1/1/N:1,3,4,20,21,22,10,14,11,13,9,12,7,15,2,19,6,17,5,18,8,16/E:(1,2,3,4,5,6)(7,8,9,10)(11,12)(13,14)(15,16)(17,18)(19,20)(21,22)/gE:(1,2)/rA:22nCCCCNNCOCCCCCCCONNCCCC/rB:s1;s2;s2;s2;s5;s6;d7;s7;s9;d10;s11;d12;d9s13;s12;d15;s15;s17;s18;s19;s19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H26N4O2 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.7652 |
Area: | 542.589 |
Solvation: | -3.79953 |
Coulombic: | -49.514 |
Bond Count [?]
All: | 22 |
Single: | 17 |
Double: | 5 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 306.403 |
H-Bond Donors: | 4 |
H-Bond Acceptors: | 6 |
XLogP: | 4.18 |
LogP (Chemaxon): | 1.15 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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