Chemical ID: 7021250

CCCCCCC(=O)NN=Cc1ccc(c(c1)OC)OC(=O)c2ccc(c(c2)OC)OC
Chemical ID:
7021250
Name [?]:
[4-(heptanoylaminoiminomethyl)-2-methoxy-phenyl] 3,4-dimethoxybenzoate
SMILES [?]:
CCCCCCC(=O)NN=Cc1ccc(c(c1)OC)OC(=O)c2ccc(c(c2)OC)OC
InChi [?]:
InChI=1/C24H30N2O6/c1-5-6-7-8-9-23(27)26-25-16-17-10-12-20(21(14-17)30-3)32-24(28)18-11-13-19(29-2)22(15-18)31-4/h10-16H,5-9H2,1-4H3,(H,26,27)
InChi Info:
AuxInfo=1/1/N:1,32,19,30,2,3,4,5,6,13,24,14,25,17,28,11,12,23,26,15,16,27,7,21,10,9,8,22,31,18,29,20/rA:32nCCCCCCCONNCCCCCCCOCOCOCCCCCCOCOC/rB:s1;s2;s3;s4;s5;s6;d7;s7;s9;w10;s11;s12;d13;s14;d15;d12s16;s16;s18;s15;s20;d21;s21;s23;d24;s25;d26;d23s27;s27;s29;s26;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H30N2O6
All Atoms:62
Heavy Atoms:32
Chiral Atoms:0
ZAP Information [?]
Total:9.71752
Area:742.862
Solvation:-8.85404
Coulombic:-58.9354
Bond Count [?]
All:33
Single:24
Double:9
Rotors:14
Chiral:1
Rigid Segments:11
Chemical Properties
Molecular Weight:442.505
H-Bond Donors:1
H-Bond Acceptors:8
XLogP:5.52
LogP (Chemaxon):4.2

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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