Chemical ID: 7079979

CCCOc1ccc(cc1OCC)C2c3c(=O)c4cc(ccc4oc3C(=O)N2CCN(C)C)Cl
Chemical ID:
7079979
Name [?]:
None
SMILES [?]:
CCCOc1ccc(cc1OCC)C2c3c(=O)c4cc(ccc4oc3C(=O)N2CCN(C)C)Cl
InChi [?]:
InChI=1/C26H29ClN2O5/c1-5-13-33-20-9-7-16(14-21(20)32-6-2)23-22-24(30)18-15-17(27)8-10-19(18)34-25(22)26(31)29(23)12-11-28(3)4/h7-10,14-15,23H,5-6,11-13H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,13,32,33,2,12,7,21,6,22,30,29,3,9,19,8,20,18,23,5,10,15,14,16,25,26,34,31,28,17,27,11,4,24/E:(3,4)/rA:34cCCCOCCCCCCOCCCCCOCCCCCCOCCONCCNCCCl/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s10;s11;s12;s8;s14;s15;d16;s16;s18;d19;s20;d21;d18s22;s23;d15s24;s25;d26;s14s26;s28;s29;s30;s31;s31;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C26H29ClN2O5
All Atoms:63
Heavy Atoms:34
Chiral Atoms:1
ZAP Information [?]
Total:11.5704
Area:738.391
Solvation:-6.88938
Coulombic:-54.038
Bond Count [?]
All:37
Single:28
Double:9
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:484.972
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:3.66
LogP (Chemaxon):3.8

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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