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Chemical ID: 5787071
Chemical ID:
5787071
Name [?]:
N'-[2-hydroxy-2,2-bis(p-tolyl)acetyl]-N-[1-(p-tolyl)propyl]benzohydrazide
SMILES [?]:
CCC(c1ccc(cc1)C)N(C(=O)c2ccccc2)NC(=O)C(c3ccc(cc3)C)(c4ccc(cc4)C)O
InChi [?]:
InChI=1/C33H34N2O3/c1-5-30(26-17-11-23(2)12-18-26)35(31(36)27-9-7-6-8-10-27)34-32(37)33(38,28-19-13-24(3)14-20-28)29-21-15-25(4)16-22-29/h6-22,30,38H,5H2,1-4H3,(H,34,37)
InChi Info:
AuxInfo=1/1/N:1,10,30,37,2,17,16,18,15,19,6,8,26,28,33,35,5,9,25,29,32,36,7,27,34,4,14,24,31,3,12,21,23,20,11,13,22,38/E:(3,4)(7,8)(9,10)(11,12)(13,14,15,16)(17,18)(19,20,21,22)(24,25)(28,29)/rA:38cCCCCCCCCCCNCOCCCCCCNCOCCCCCCCCCCCCCCCO/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;s3;s11;d12;s12;s14;d15;s16;d17;d14s18;s11;s20;d21;s21;s23;s24;d25;s26;d27;d24s28;s27;s23;s31;d32;s33;d34;d31s35;s34;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C33H34N2O3 |
All Atoms: | 38 |
Heavy Atoms: | 38 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 13.9364 |
Area: | 694.077 |
Solvation: | -3.41552 |
Coulombic: | -58.5072 |
Bond Count [?]
All: | 41 |
Single: | 27 |
Double: | 14 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 506.635 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 7.61 |
LogP (Chemaxon): | 7.69 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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