Chemical ID: 7079372

Cc1cc2c(cc1C)oc3c(c2=O)C(N(C3=O)CCCN4CCOCC4)c5ccc(cc5)Cl
Chemical ID:
7079372
Name [?]:
None
SMILES [?]:
Cc1cc2c(cc1C)oc3c(c2=O)C(N(C3=O)CCCN4CCOCC4)c5ccc(cc5)Cl
InChi [?]:
InChI=1/C26H27ClN2O4/c1-16-14-20-21(15-17(16)2)33-25-22(24(20)30)23(18-4-6-19(27)7-5-18)29(26(25)31)9-3-8-28-10-12-32-13-11-28/h4-7,14-15,23H,3,8-13H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,8,19,28,32,29,31,20,18,22,26,23,25,3,6,2,7,27,30,4,5,11,14,12,10,16,33,21,15,13,17,24,9/E:(4,5)(6,7)(10,11)(12,13)/rA:33cCCCCCCCCOCCCOCNCOCCCNCCOCCCCCCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;d10;s4s11;d12;s11;s14;s10s15;d16;s15;s18;s19;s20;s21;s22;s23;s24;s21s25;s14;s27;d28;s29;d30;d27s31;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C26H27ClN2O4
All Atoms:60
Heavy Atoms:33
Chiral Atoms:1
ZAP Information [?]
Total:12.6977
Area:698.733
Solvation:-4.77065
Coulombic:-48.8469
Bond Count [?]
All:37
Single:28
Double:9
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:466.956
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:3.73
LogP (Chemaxon):3.8

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Experimental Annotations

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Descriptor Annotations

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