Chemical ID: 6644190

COc1cc(ccc1OC(=O)c2ccccc2)C=NNC(=O)COc3ccc(cc3)c4ccccc4
Chemical ID:
6644190
Name [?]:
[2-methoxy-4-[[2-(4-phenylphenoxy)acetyl]aminoiminomethyl]phenyl] benzoate
SMILES [?]:
COc1cc(ccc1OC(=O)c2ccccc2)C=NNC(=O)COc3ccc(cc3)c4ccccc4
InChi [?]:
InChI=1/C29H24N2O5/c1-34-27-18-21(12-17-26(27)36-29(33)24-10-6-3-7-11-24)19-30-31-28(32)20-35-25-15-13-23(14-16-25)22-8-4-2-5-9-22/h2-19H,20H2,1H3,(H,31,32)
InChi Info:
AuxInfo=1/1/N:1,34,15,33,35,14,16,32,36,13,17,6,27,29,26,30,7,4,18,23,5,31,28,12,25,8,3,21,10,19,20,22,11,2,24,9/E:(4,5)(6,7)(8,9)(10,11)(13,14)(15,16)/rA:36nCOCCCCCCOCOCCCCCCCNNCOCOCCCCCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;s10;s12;d13;s14;d15;d12s16;s5;w18;s19;s20;d21;s21;s23;s24;s25;d26;s27;d28;d25s29;s28;s31;d32;s33;d34;d31s35;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C29H24N2O5
All Atoms:36
Heavy Atoms:36
Chiral Atoms:0
ZAP Information [?]
Total:11.1679
Area:760.948
Solvation:-7.85575
Coulombic:-55.7912
Bond Count [?]
All:39
Single:24
Double:15
Rotors:11
Chiral:1
Rigid Segments:9
Chemical Properties
Molecular Weight:480.511
H-Bond Donors:1
H-Bond Acceptors:7
XLogP:6.76
LogP (Chemaxon):5.68

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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