Chemical ID: 5787071

CCC(c1ccc(cc1)C)N(C(=O)c2ccccc2)NC(=O)C(c3ccc(cc3)C)(c4ccc(cc4)C)O
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

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Descriptor Annotations

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