Chemical ID: 7701102

CCOc1cc(c(c(c1OCC(=O)N)Br)Br)CNCc2ccccc2
Chemical ID:
7701102
Name [?]:
None
SMILES [?]:
CCOc1cc(c(c(c1OCC(=O)N)Br)Br)CNCc2ccccc2
InChi [?]:
InChI=1/C18H20Br2N2O3/c1-2-24-14-8-13(10-22-9-12-6-4-3-5-7-12)16(19)17(20)18(14)25-11-15(21)23/h3-8,22H,2,9-11H2,1H3,(H2,21,23)
InChi Info:
AuxInfo=1/1/N:1,2,23,22,24,21,25,5,19,17,11,20,6,4,12,7,8,9,16,15,14,18,13,3,10/E:(4,5)(6,7)/rA:25nCCOCCCCCCOCCONBrBrCNCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s11;d12;s12;s8;s7;s6;s17;s18;s19;s20;d21;s22;d23;d20s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H20Br2N2O3
All Atoms:45
Heavy Atoms:25
Chiral Atoms:None
ZAP Information [?]
Total:9.0614
Area:602.386
Solvation:-5.99824
Coulombic:-49.4534
Bond Count [?]
All:26
Single:19
Double:7
Rotors:9
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:3.48
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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