Chemical ID: 7021374

COc1cc(cc(c1OC)OC)C(=O)Oc2ccc(cc2)C=NNC(=O)COc3ccc4ccccc4c3
Chemical ID:
7021374
Name [?]:
[4-[[2-(2-naphthyloxy)acetyl]aminoiminomethyl]phenyl] 3,4,5-trimethoxybenzoate
SMILES [?]:
COc1cc(cc(c1OC)OC)C(=O)Oc2ccc(cc2)C=NNC(=O)COc3ccc4ccccc4c3
InChi [?]:
InChI=1/C29H26N2O7/c1-34-25-15-22(16-26(35-2)28(25)36-3)29(33)38-23-11-8-19(9-12-23)17-30-31-27(32)18-37-24-13-10-20-6-4-5-7-21(20)14-24/h4-17H,18H2,1-3H3,(H,31,32)
InChi Info:
AuxInfo=1/1/N:1,12,10,34,35,33,36,18,20,31,17,21,30,38,4,6,22,27,19,32,37,5,16,29,3,7,25,8,13,23,24,26,14,2,11,9,28,15/E:(1,2)(8,9)(11,12)(15,16)(25,26)(34,35)/rA:38nCOCCCCCCOCOCCOOCCCCCCCNNCOCOCCCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s7;s11;s5;d13;s13;s15;s16;d17;s18;d19;d16s20;s19;w22;s23;s24;d25;s25;s27;s28;s29;d30;s31;s32;d33;s34;d35;d32s36;d29s37;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C29H26N2O7
All Atoms:64
Heavy Atoms:38
Chiral Atoms:0
ZAP Information [?]
Total:9.15665
Area:805.714
Solvation:-10.9862
Coulombic:-66.8036
Bond Count [?]
All:41
Single:27
Double:14
Rotors:12
Chiral:1
Rigid Segments:10
Chemical Properties
Molecular Weight:514.526
H-Bond Donors:1
H-Bond Acceptors:9
XLogP:5.79
LogP (Chemaxon):4.49

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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