Chemical ID: 7704923

COc1ccc(cc1)C(=O)NCC(=O)NN=Cc2cccc(c2)Br
Chemical ID:
7704923
Name [?]:
None
SMILES [?]:
COc1ccc(cc1)C(=O)NCC(=O)NN=Cc2cccc(c2)Br
InChi [?]:
InChI=1/C17H16BrN3O3/c1-24-15-7-5-13(6-8-15)17(23)19-11-16(22)21-20-10-12-3-2-4-14(18)9-12/h2-10H,11H2,1H3,(H,19,23)(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,20,19,21,5,7,4,8,23,17,12,18,6,22,3,13,9,24,11,16,15,14,10,2/E:(5,6)(7,8)/rA:24nCOCCCCCCCONCCONNCCCCCCCBr/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s9;s11;s12;d13;s13;s15;w16;s17;s18;d19;s20;d21;d18s22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H16BrN3O3
All Atoms:40
Heavy Atoms:24
Chiral Atoms:None
ZAP Information [?]
Total:9.26886
Area:584.971
Solvation:-5.35543
Coulombic:-47.9977
Bond Count [?]
All:25
Single:16
Double:9
Rotors:8
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:3.88
LogP (Chemaxon):None

Name Annotations

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Descriptor Annotations

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