Chemical ID: 6649967

Cc1ccc(cc1)C(=O)Oc2ccc(cc2)C=NNC(=O)COc3ccc(cc3)OCc4ccccc4
Chemical ID:
6649967
Name [?]:
[4-[[2-(4-benzyloxyphenoxy)acetyl]aminoiminomethyl]phenyl] 4-methylbenzoate
SMILES [?]:
Cc1ccc(cc1)C(=O)Oc2ccc(cc2)C=NNC(=O)COc3ccc(cc3)OCc4ccccc4
InChi [?]:
InChI=1/C30H26N2O5/c1-22-7-11-25(12-8-22)30(34)37-28-13-9-23(10-14-28)19-31-32-29(33)21-36-27-17-15-26(16-18-27)35-20-24-5-3-2-4-6-24/h2-19H,20-21H2,1H3,(H,32,33)
InChi Info:
AuxInfo=1/1/N:1,35,34,36,33,37,3,7,13,15,4,6,12,16,26,28,25,29,17,31,22,2,14,32,5,27,24,11,20,8,18,19,21,9,30,23,10/E:(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)/rA:37nCCCCCCCCOOCCCCCCCNNCOCOCCCCCCOCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s8;s10;s11;d12;s13;d14;d11s15;s14;w17;s18;s19;d20;s20;s22;s23;s24;d25;s26;d27;d24s28;s27;s30;s31;s32;d33;s34;d35;d32s36;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C30H26N2O5
All Atoms:37
Heavy Atoms:37
Chiral Atoms:0
ZAP Information [?]
Total:12.13
Area:799.433
Solvation:-7.8558
Coulombic:-55.2448
Bond Count [?]
All:40
Single:25
Double:15
Rotors:12
Chiral:1
Rigid Segments:9
Chemical Properties
Molecular Weight:494.538
H-Bond Donors:1
H-Bond Acceptors:7
XLogP:7.24
LogP (Chemaxon):6.24

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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