Chemical ID: 5859938

CC(C)CC(C(=O)NN=Cc1ccc(cc1)OC)NC(=O)c2ccc(cc2)Cl
Chemical ID:
5859938
Name [?]:
4-chloro-N-[1-[(4-methoxyphenyl)methyleneaminocarbamoyl]-3-methyl-butyl]-benzamide
SMILES [?]:
CC(C)CC(C(=O)NN=Cc1ccc(cc1)OC)NC(=O)c2ccc(cc2)Cl
InChi [?]:
InChI=1/C21H24ClN3O3/c1-14(2)12-19(24-20(26)16-6-8-17(22)9-7-16)21(27)25-23-13-15-4-10-18(28-3)11-5-15/h4-11,13-14,19H,12H2,1-3H3,(H,24,26)(H,25,27)
InChi Info:
AuxInfo=1/1/N:1,3,18,12,16,23,27,24,26,13,15,4,10,2,11,22,25,14,5,20,6,28,9,19,8,21,7,17/E:(1,2)(4,5)(6,7)(8,9)(10,11)/rA:28cCCCCCCONNCCCCCCCOCNCOCCCCCCCl/rB:s1;s2;s2;s4;s5;d6;s6;s8;w9;s10;s11;d12;s13;d14;d11s15;s14;s17;s5;s19;d20;s20;s22;d23;s24;d25;d22s26;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H24ClN3O3
All Atoms:28
Heavy Atoms:28
Chiral Atoms:1
ZAP Information [?]
Total:11.0135
Area:639.957
Solvation:-4.98538
Coulombic:-50.0381
Bond Count [?]
All:29
Single:20
Double:9
Rotors:10
Chiral:1
Rigid Segments:8
Chemical Properties
Molecular Weight:401.886
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:5.66
LogP (Chemaxon):4.16

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Descriptor Annotations

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