Chemical ID: 6987235

Cc1cc(cc(c1Cl)C)OCC(=O)NN=Cc2ccc(cc2)OCc3ccccc3
Chemical ID:
6987235
Name [?]:
N-[(4-benzyloxyphenyl)methyleneamino]-2-(4-chloro-3,5-dimethyl-phenoxy)-acetamide
SMILES [?]:
Cc1cc(cc(c1Cl)C)OCC(=O)NN=Cc2ccc(cc2)OCc3ccccc3
InChi [?]:
InChI=1/C24H23ClN2O3/c1-17-12-22(13-18(2)24(17)25)30-16-23(28)27-26-14-19-8-10-21(11-9-19)29-15-20-6-4-3-5-7-20/h3-14H,15-16H2,1-2H3,(H,27,28)
InChi Info:
AuxInfo=1/1/N:1,9,28,27,29,26,30,18,22,19,21,3,5,16,24,11,2,6,17,25,20,4,12,7,8,15,14,13,23,10/E:(1,2)(4,5)(6,7)(8,9)(10,11)(12,13)(17,18)/rA:30nCCCCCCCClCOCCONNCCCCCCCOCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s6;s4;s10;s11;d12;s12;s14;w15;s16;s17;d18;s19;d20;d17s21;s20;s23;s24;s25;d26;s27;d28;d25s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H23ClN2O3
All Atoms:53
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:10.1897
Area:698.063
Solvation:-7.26184
Coulombic:-34.9162
Bond Count [?]
All:32
Single:21
Double:11
Rotors:9
Chiral:1
Rigid Segments:7
Chemical Properties
Molecular Weight:422.904
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:6.37
LogP (Chemaxon):5.99

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Descriptor Annotations

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