Chemical ID: 6825972

CCOc1cc(ccc1O)C2c3c(=O)c4cc(ccc4oc3C(=O)N2Cc5ccc(cc5)C)Br
Chemical ID:
6825972
Name [?]:
None
SMILES [?]:
CCOc1cc(ccc1O)C2c3c(=O)c4cc(ccc4oc3C(=O)N2Cc5ccc(cc5)C)Br
InChi [?]:
InChI=1/C27H22BrNO5/c1-3-33-22-12-17(8-10-20(22)30)24-23-25(31)19-13-18(28)9-11-21(19)34-26(23)27(32)29(24)14-16-6-4-15(2)5-7-16/h4-13,24,30H,3,14H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,33,2,29,31,28,32,7,18,8,19,5,16,26,30,27,6,17,15,9,20,4,12,11,13,22,23,34,25,10,14,24,3,21/E:(4,5)(6,7)/rA:34cCCOCCCCCCOCCCOCCCCCCOCCONCCCCCCCCBr/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s6;s11;s12;d13;s13;s15;d16;s17;d18;d15s19;s20;d12s21;s22;d23;s11s23;s25;s26;s27;d28;s29;d30;d27s31;s30;s17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C27H22BrNO5
All Atoms:56
Heavy Atoms:34
Chiral Atoms:1
ZAP Information [?]
Total:10.6712
Area:650.116
Solvation:-5.58166
Coulombic:-59.2617
Bond Count [?]
All:38
Single:26
Double:12
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:520.371
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:5.3
LogP (Chemaxon):5.5

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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