Chemical ID: 4576522

Cc1ccc(cc1)CN2CC(=O)N3C(C2=O)Cc4c5ccccc5[nH]c4C3c6ccc(cc6)Br
Chemical ID:
4576522
Name [?]:
None
SMILES [?]:
Cc1ccc(cc1)CN2CC(=O)N3C(C2=O)Cc4c5ccccc5[nH]c4C3c6ccc(cc6)Br
InChi [?]:
InChI=1/C28H24BrN3O2/c1-17-6-8-18(9-7-17)15-31-16-25(33)32-24(28(31)34)14-22-21-4-2-3-5-23(21)30-26(22)27(32)19-10-12-20(29)13-11-19/h2-13,24,27,30H,14-16H2,1H3
InChi Info:
AuxInfo=1/0/N:1,21,22,20,23,3,7,4,6,29,33,30,32,17,8,10,2,5,28,31,19,18,24,14,11,26,27,15,34,25,9,13,12,16/E:(6,7)(8,9)(10,11)(12,13)/rA:34cCCCCCCCCNCCONCCOCCCCCCCCNCCCCCCCCBr/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;s10;d11;s11;s13;s9s14;d15;s14;s17;s18;s19;d20;s21;d22;d19s23;s24;d18s25;s13s26;s27;s28;d29;s30;d31;d28s32;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C28H24BrN3O2
All Atoms:34
Heavy Atoms:34
Chiral Atoms:2
ZAP Information [?]
Total:13.1784
Area:659.752
Solvation:-3.31537
Coulombic:-47.6899
Bond Count [?]
All:39
Single:27
Double:12
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:514.413
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:4.89
LogP (Chemaxon):5.34

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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