Chemical ID: 7390900

Cc1ccc(cc1)C2CC3=C(C(Sc4ccccc4N3)c5cccc(c5)Br)C(=O)C2
Chemical ID:
7390900
Name [?]:
None
SMILES [?]:
Cc1ccc(cc1)C2CC3=C(C(Sc4ccccc4N3)c5cccc(c5)Br)C(=O)C2
InChi [?]:
InChI=1/C26H22BrNOS/c1-16-9-11-17(12-10-16)19-14-22-25(23(29)15-19)26(18-5-4-6-20(27)13-18)30-24-8-3-2-7-21(24)28-22/h2-13,19,26,28H,14-15H2,1H3
InChi Info:
AuxInfo=1/0/N:1,17,16,23,22,24,18,15,3,7,4,6,26,9,30,2,5,21,8,25,19,10,28,14,11,12,27,20,29,13/E:(9,10)(11,12)/rA:30cCCCCCCCCCCCCSCCCCCCNCCCCCCBrCOC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;d10;s11;s12;s13;s14;d15;s16;d17;d14s18;s10s19;s12;s21;d22;s23;d24;d21s25;s25;s11;d28;s8s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C26H22BrNOS
All Atoms:52
Heavy Atoms:30
Chiral Atoms:2
ZAP Information [?]
Total:13.1255
Area:622.828
Solvation:-2.44521
Coulombic:-23.0078
Bond Count [?]
All:34
Single:23
Double:11
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:476.429
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:6.33
LogP (Chemaxon):6.61

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Descriptor Annotations

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