Chemical ID: 5845201

CC(=O)Oc1ccccc1C=NNC(=O)Cc2ccc(c3c2cccc3)Br
Chemical ID:
5845201
Name [?]:
[2-[[2-(4-bromo-1-naphthyl)acetyl]aminoiminomethyl]phenyl] acetate
SMILES [?]:
CC(=O)Oc1ccccc1C=NNC(=O)Cc2ccc(c3c2cccc3)Br
InChi [?]:
InChI=1/C21H17BrN2O3/c1-14(25)27-20-9-5-2-6-16(20)13-23-24-21(26)12-15-10-11-19(22)18-8-4-3-7-17(15)18/h2-11,13H,12H2,1H3,(H,24,26)
InChi Info:
AuxInfo=1/1/N:1,8,24,25,7,9,23,26,6,18,19,16,11,2,17,10,22,21,20,5,14,27,12,13,3,15,4/rA:27nCCOOCCCCCCCNNCOCCCCCCCCCCCBr/rB:s1;d2;s2;s4;s5;d6;s7;d8;d5s9;s10;w11;s12;s13;d14;s14;s16;s17;d18;s19;d20;d17s21;s22;d23;s24;s21d25;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H17BrN2O3
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:10.3662
Area:592.959
Solvation:-4.45777
Coulombic:-37.3408
Bond Count [?]
All:29
Single:18
Double:11
Rotors:7
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:425.275
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:5.65
LogP (Chemaxon):4.65

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