Chemical ID: 5844251

Cc1cc(cc(c1OCC(=O)NN=Cc2ccccc2OC(=O)C)C)Br
Chemical ID:
5844251
Name [?]:
[2-[[2-(4-bromo-2,6-dimethyl-phenoxy)acetyl]aminoiminomethyl]phenyl] acetate
SMILES [?]:
Cc1cc(cc(c1OCC(=O)NN=Cc2ccccc2OC(=O)C)C)Br
InChi [?]:
InChI=1/C19H19BrN2O4/c1-12-8-16(20)9-13(2)19(12)25-11-18(24)22-21-10-15-6-4-5-7-17(15)26-14(3)23/h4-10H,11H2,1-3H3,(H,22,24)
InChi Info:
AuxInfo=1/1/N:1,25,24,17,18,16,19,3,5,14,9,2,6,22,15,4,20,10,7,26,13,12,23,11,8,21/E:(1,2)(8,9)(12,13)/rA:26nCCCCCCCOCCONNCCCCCCCOCOCCBr/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;d10;s10;s12;w13;s14;s15;d16;s17;d18;d15s19;s20;s21;d22;s22;s6;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H19BrN2O4
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:9.50774
Area:604.228
Solvation:-5.59796
Coulombic:-43.9607
Bond Count [?]
All:27
Single:18
Double:9
Rotors:8
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:419.269
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:4.71
LogP (Chemaxon):4.24

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