Chemical ID: 6412323

CC(=O)Oc1ccc(c(c1)OC(=O)C)C=NNC(=O)COc2ccccc2CC=C
Chemical ID:
6412323
Name [?]:
[3-acetoxy-4-[[2-(2-allylphenoxy)acetyl]aminoiminomethyl]phenyl] acetate
SMILES [?]:
CC(=O)Oc1ccc(c(c1)OC(=O)C)C=NNC(=O)COc2ccccc2CC=C
InChi [?]:
InChI=1/C22H22N2O6/c1-4-7-17-8-5-6-9-20(17)28-14-22(27)24-23-13-18-10-11-19(29-15(2)25)12-21(18)30-16(3)26/h4-6,8-13H,1,7,14H2,2-3H3,(H,24,27)
InChi Info:
AuxInfo=1/1/N:30,1,14,29,25,24,28,26,23,7,6,10,15,20,2,12,27,8,5,22,9,18,16,17,3,13,19,21,4,11/rA:30nCCOOCCCCCCOCOCCNNCOCOCCCCCCCCC/rB:s1;d2;s2;s4;s5;d6;s7;d8;d5s9;s9;s11;d12;s12;s8;w15;s16;s17;d18;s18;s20;s21;s22;d23;s24;d25;d22s26;s27;s28;d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H22N2O6
All Atoms:30
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:9.77868
Area:676.929
Solvation:-7.14454
Coulombic:-61.3589
Bond Count [?]
All:31
Single:20
Double:11
Rotors:12
Chiral:1
Rigid Segments:8
Chemical Properties
Molecular Weight:410.42
H-Bond Donors:1
H-Bond Acceptors:8
XLogP:4.33
LogP (Chemaxon):3.06

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