Chemical ID: 6646995

CC(C(=O)NN=Cc1ccc(cc1)OC(=O)c2ccc(cc2)OC)Oc3ccc(cc3)c4ccccc4
Chemical ID:
6646995
Name [?]:
[4-[2-(4-phenylphenoxy)propanoylaminoiminomethyl]phenyl] 4-methoxybenzoate
SMILES [?]:
CC(C(=O)NN=Cc1ccc(cc1)OC(=O)c2ccc(cc2)OC)Oc3ccc(cc3)c4ccccc4
InChi [?]:
InChI=1/C30H26N2O5/c1-21(36-27-18-10-24(11-19-27)23-6-4-3-5-7-23)29(33)32-31-20-22-8-14-28(15-9-22)37-30(34)25-12-16-26(35-2)17-13-25/h3-21H,1-2H3,(H,32,33)
InChi Info:
AuxInfo=1/1/N:1,24,35,34,36,33,37,9,13,28,30,18,22,10,12,19,21,27,31,7,2,8,32,29,17,20,26,11,3,15,6,5,4,16,23,25,14/E:(4,5)(6,7)(8,9)(10,11)(12,13)(14,15)(16,17)(18,19)/rA:37cCCCONNCCCCCCCOCOCCCCCCOCOCCCCCCCCCCCC/rB:s1;s2;d3;s3;s5;w6;s7;s8;d9;s10;d11;d8s12;s11;s14;d15;s15;s17;d18;s19;d20;d17s21;s20;s23;s2;s25;s26;d27;s28;d29;d26s30;s29;s32;d33;s34;d35;d32s36;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C30H26N2O5
All Atoms:37
Heavy Atoms:37
Chiral Atoms:1
ZAP Information [?]
Total:12.1778
Area:785.764
Solvation:-7.46629
Coulombic:-55.8906
Bond Count [?]
All:40
Single:25
Double:15
Rotors:11
Chiral:1
Rigid Segments:9
Chemical Properties
Molecular Weight:494.538
H-Bond Donors:1
H-Bond Acceptors:7
XLogP:7.56
LogP (Chemaxon):6.22

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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