Chemical ID: 4131336

CCOc1cc(ccc1OC(=O)c2ccccc2)C=NNC(=O)c3ccc(cc3)OCc4ccc(cc4)C
Chemical ID:
4131336
Name [?]:
[2-ethoxy-4-[[4-(p-tolylmethoxy)benzoyl]aminoiminomethyl]phenyl] benzoate
SMILES [?]:
CCOc1cc(ccc1OC(=O)c2ccccc2)C=NNC(=O)c3ccc(cc3)OCc4ccc(cc4)C
InChi [?]:
InChI=1/C31H28N2O5/c1-3-36-29-19-24(13-18-28(29)38-31(35)26-7-5-4-6-8-26)20-32-33-30(34)25-14-16-27(17-15-25)37-21-23-11-9-22(2)10-12-23/h4-20H,3,21H2,1-2H3,(H,33,34)
InChi Info:
AuxInfo=1/1/N:1,38,2,16,15,17,14,18,34,36,33,37,7,25,29,26,28,8,5,19,31,35,32,6,24,13,27,9,4,22,11,20,21,23,12,3,30,10/E:(5,6)(7,8)(9,10)(11,12)(14,15)(16,17)/rA:38nCCOCCCCCCOCOCCCCCCCNNCOCCCCCCOCCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;d11;s11;s13;d14;s15;d16;d13s17;s6;w19;s20;s21;d22;s22;s24;d25;s26;d27;d24s28;s27;s30;s31;s32;d33;s34;d35;d32s36;s35;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C31H28N2O5
All Atoms:38
Heavy Atoms:38
Chiral Atoms:0
ZAP Information [?]
Total:13.3578
Area:799.809
Solvation:-6.63738
Coulombic:-57.3127
Bond Count [?]
All:41
Single:26
Double:15
Rotors:12
Chiral:1
Rigid Segments:9
Chemical Properties
Molecular Weight:508.565
H-Bond Donors:1
H-Bond Acceptors:7
XLogP:7.63
LogP (Chemaxon):6.55

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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