Chemical ID: 4702117

CC(C)NC(=O)c1ccc(cc1)N2C(=O)C3C4c5ccccc5C(C3C2=O)c6c4cccc6
Chemical ID:
4702117
Name [?]:
None
SMILES [?]:
CC(C)NC(=O)c1ccc(cc1)N2C(=O)C3C4c5ccccc5C(C3C2=O)c6c4cccc6
InChi [?]:
InChI=1/C28H24N2O3/c1-15(2)29-26(31)16-11-13-17(14-12-16)30-27(32)24-22-18-7-3-4-8-19(18)23(25(24)28(30)33)21-10-6-5-9-20(21)22/h3-15,22-25H,1-2H3,(H,29,31)
InChi Info:
AuxInfo=1/1/N:1,3,20,21,31,32,19,22,30,33,8,12,9,11,2,7,10,18,23,29,28,17,24,16,25,5,14,26,4,13,6,15,27/E:(1,2)(3,4,5,6)(7,8,9,10)(11,12)(13,14)(18,19,20,21)(22,23)(24,25)(27,28)(32,33)/rA:33cCCCNCOCCCCCCNCOCCCCCCCCCCCOCCCCCC/rB:s1;s2;s2;s4;d5;s5;s7;d8;s9;d10;d7s11;s10;s13;d14;s14;s16;s17;s18;d19;s20;d21;d18s22;s23;s16s24;s13s25;d26;s24;s17s28;d29;s30;d31;d28s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C28H24N2O3
All Atoms:33
Heavy Atoms:33
Chiral Atoms:2
ZAP Information [?]
Total:11.6402
Area:627.862
Solvation:-4.0564
Coulombic:-47.6208
Bond Count [?]
All:38
Single:26
Double:12
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:436.502
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:3.44
LogP (Chemaxon):3.86

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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