Chemical ID: 6629576

CCOc1ccc(cc1)C(=O)NN=Cc2ccc(c(c2)OCC)OC(=O)c3ccc(cc3)OCC
Chemical ID:
6629576
Name [?]:
[2-ethoxy-4-[(4-ethoxybenzoyl)aminoiminomethyl]phenyl] 4-ethoxybenzoate
SMILES [?]:
CCOc1ccc(cc1)C(=O)NN=Cc2ccc(c(c2)OCC)OC(=O)c3ccc(cc3)OCC
InChi [?]:
InChI=1/C27H28N2O6/c1-4-32-22-12-8-20(9-13-22)26(30)29-28-18-19-7-16-24(25(17-19)34-6-3)35-27(31)21-10-14-23(15-11-21)33-5-2/h7-18H,4-6H2,1-3H3,(H,29,30)
InChi Info:
AuxInfo=1/1/N:1,35,23,2,34,22,16,6,8,28,32,5,9,29,31,17,20,14,15,7,27,4,30,18,19,10,25,13,12,11,26,3,33,21,24/E:(8,9)(10,11)(12,13)(14,15)/rA:35nCCOCCCCCCCONNCCCCCCCOCCOCOCCCCCCOCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;d10;s10;s12;w13;s14;s15;d16;s17;d18;d15s19;s19;s21;s22;s18;s24;d25;s25;s27;d28;s29;d30;d27s31;s30;s33;s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C27H28N2O6
All Atoms:35
Heavy Atoms:35
Chiral Atoms:0
ZAP Information [?]
Total:11.5036
Area:759.469
Solvation:-7.48313
Coulombic:-61.9372
Bond Count [?]
All:37
Single:25
Double:12
Rotors:13
Chiral:1
Rigid Segments:9
Chemical Properties
Molecular Weight:476.521
H-Bond Donors:1
H-Bond Acceptors:8
XLogP:6.24
LogP (Chemaxon):4.74

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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