Chemical ID: 7702940

Cc1ccc(cc1)C(=O)Oc2ccc(cc2C=NNC(=O)C(=O)Nc3ccccc3)Br
Chemical ID:
7702940
Name [?]:
None
SMILES [?]:
Cc1ccc(cc1)C(=O)Oc2ccc(cc2C=NNC(=O)C(=O)Nc3ccccc3)Br
InChi [?]:
InChI=1/C23H18BrN3O4/c1-15-7-9-16(10-8-15)23(30)31-20-12-11-18(24)13-17(20)14-25-27-22(29)21(28)26-19-5-3-2-4-6-19/h2-14H,1H3,(H,26,28)(H,27,29)
InChi Info:
AuxInfo=1/1/N:1,28,27,29,26,30,3,7,4,6,13,12,15,17,2,5,16,14,25,11,22,20,8,31,18,24,19,23,21,9,10/E:(3,4)(5,6)(7,8)(9,10)/rA:31nCCCCCCCCOOCCCCCCCNNCOCONCCCCCCBr/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s8;s10;s11;d12;s13;d14;d11s15;s16;w17;s18;s19;d20;s20;d22;s22;s24;s25;d26;s27;d28;d25s29;s14;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H18BrN3O4
All Atoms:49
Heavy Atoms:31
Chiral Atoms:None
ZAP Information [?]
Total:12.2483
Area:645.757
Solvation:-3.89567
Coulombic:-65.0676
Bond Count [?]
All:33
Single:20
Double:13
Rotors:9
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:5.76
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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