Chemical ID: 5288447

CCOc1cccc(c1)C2c3c(=O)c4ccccc4oc3C(=O)N2CCCN5CCOCC5
Chemical ID:
5288447
Name [?]:
None
SMILES [?]:
CCOc1cccc(c1)C2c3c(=O)c4ccccc4oc3C(=O)N2CCCN5CCOCC5
InChi [?]:
InChI=1/C26H28N2O5/c1-2-32-19-8-5-7-18(17-19)23-22-24(29)20-9-3-4-10-21(20)33-25(22)26(30)28(23)12-6-11-27-13-15-31-16-14-27/h3-5,7-10,17,23H,2,6,11-16H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,16,17,6,26,7,5,15,18,27,25,29,33,30,32,9,8,4,14,19,11,10,12,21,22,28,24,13,23,31,3,20/E:(13,14)(15,16)/rA:33cCCOCCCCCCCCCOCCCCCCOCCONCCCNCCOCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s8;s10;s11;d12;s12;s14;d15;s16;d17;d14s18;s19;d11s20;s21;d22;s10s22;s24;s25;s26;s27;s28;s29;s30;s31;s28s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C26H28N2O5
All Atoms:33
Heavy Atoms:33
Chiral Atoms:1
ZAP Information [?]
Total:10.9494
Area:685.644
Solvation:-6.1917
Coulombic:-55.4445
Bond Count [?]
All:37
Single:28
Double:9
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:448.511
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:2.57
LogP (Chemaxon):2.43

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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