Chemical ID: 5859469

CC(C)C(C(=O)NN=Cc1ccc(cc1)OCc2ccccc2)NC(=O)c3ccc(cc3)Cl
Chemical ID:
5859469
Name [?]:
N-[1-[(4-benzyloxyphenyl)methyleneaminocarbamoyl]-2-methyl-propyl]-4-chloro-benzamide
SMILES [?]:
CC(C)C(C(=O)NN=Cc1ccc(cc1)OCc2ccccc2)NC(=O)c3ccc(cc3)Cl
InChi [?]:
InChI=1/C26H26ClN3O3/c1-18(2)24(29-25(31)21-10-12-22(27)13-11-21)26(32)30-28-16-19-8-14-23(15-9-19)33-17-20-6-4-3-5-7-20/h3-16,18,24H,17H2,1-2H3,(H,29,31)(H,30,32)
InChi Info:
AuxInfo=1/1/N:1,3,21,20,22,19,23,11,15,28,32,29,31,12,14,9,17,2,10,18,27,30,13,4,25,5,33,8,24,7,26,6,16/E:(1,2)(4,5)(6,7)(8,9)(10,11)(12,13)(14,15)/rA:33cCCCCCONNCCCCCCCOCCCCCCCNCOCCCCCCCl/rB:s1;s2;s2;s4;d5;s5;s7;w8;s9;s10;d11;s12;d13;d10s14;s13;s16;s17;s18;d19;s20;d21;d18s22;s4;s24;d25;s25;s27;d28;s29;d30;d27s31;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C26H26ClN3O3
All Atoms:33
Heavy Atoms:33
Chiral Atoms:1
ZAP Information [?]
Total:13.1656
Area:737.981
Solvation:-5.28387
Coulombic:-52.0079
Bond Count [?]
All:35
Single:23
Double:12
Rotors:11
Chiral:1
Rigid Segments:9
Chemical Properties
Molecular Weight:463.956
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:6.59
LogP (Chemaxon):5.62

Name Annotations

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Descriptor Annotations

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