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Chemical ID: 4091948
Chemical ID:
4091948
Name [?]:
N1',N3'-dibenzoyl-N1,N3-ditert-butyl-benzene-1,3-dicarbohydrazide
SMILES [?]:
CC(C)(C)N(C(=O)c1cccc(c1)C(=O)N(C(C)(C)C)NC(=O)c2ccccc2)NC(=O)c3ccccc3
InChi [?]:
InChI=1/C30H34N4O4/c1-29(2,3)33(31-25(35)21-14-9-7-10-15-21)27(37)23-18-13-19-24(20-23)28(38)34(30(4,5)6)32-26(36)22-16-11-8-12-17-22/h7-20H,1-6H3,(H,31,35)(H,32,36)
InChi Info:
AuxInfo=1/1/N:1,3,4,18,19,20,36,27,35,37,26,28,10,34,38,25,29,9,11,13,33,24,8,12,31,22,6,14,2,17,30,21,5,16,32,23,7,15/E:(1,2,3,4,5,6)(7,8)(9,10,11,12)(14,15,16,17)(18,19)(21,22)(23,24)(25,26)(27,28)(29,30)(31,32)(33,34)(35,36)(37,38)/gE:(1,2)/rA:38nCCCCNCOCCCCCCCONCCCCNCOCCCCCCNCOCCCCCC/rB:s1;s2;s2;s2;s5;d6;s6;s8;d9;s10;d11;d8s12;s12;d14;s14;s16;s17;s17;s17;s16;s21;d22;s22;s24;d25;s26;d27;d24s28;s5;s30;d31;s31;s33;d34;s35;d36;d33s37;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C30H34N4O4 |
All Atoms: | 38 |
Heavy Atoms: | 38 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 13.7795 |
Area: | 738.929 |
Solvation: | -4.69375 |
Coulombic: | -69.5016 |
Bond Count [?]
All: | 40 |
Single: | 27 |
Double: | 13 |
Rotors: | 12 |
Chiral: | 0 |
Rigid Segments: | 11 |
Chemical Properties
Molecular Weight: | 514.616 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 8 |
XLogP: | 6.41 |
LogP (Chemaxon): | 4.21 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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