Chemical ID: 7080930

Cc1cc2c(cc1C)oc3c(c2=O)C(N(C3=O)CCc4ccccc4)c5ccc(c(c5)OC)O
Chemical ID:
7080930
Name [?]:
None
SMILES [?]:
Cc1cc2c(cc1C)oc3c(c2=O)C(N(C3=O)CCc4ccccc4)c5ccc(c(c5)OC)O
InChi [?]:
InChI=1/C28H25NO5/c1-16-13-20-22(14-17(16)2)34-27-24(26(20)31)25(19-9-10-21(30)23(15-19)33-3)29(28(27)32)12-11-18-7-5-4-6-8-18/h4-10,13-15,25,30H,11-12H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,8,33,23,22,24,21,25,27,28,19,18,3,6,31,2,7,20,26,4,29,5,30,11,14,12,10,16,15,34,13,17,32,9/E:(5,6)(7,8)/rA:34cCCCCCCCCOCCCOCNCOCCCCCCCCCCCCCCOCO/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;d10;s4s11;d12;s11;s14;s10s15;d16;s15;s18;s19;s20;d21;s22;d23;d20s24;s14;s26;d27;s28;d29;d26s30;s30;s32;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C28H25NO5
All Atoms:59
Heavy Atoms:34
Chiral Atoms:1
ZAP Information [?]
Total:10.9033
Area:669.404
Solvation:-5.83177
Coulombic:-59.4711
Bond Count [?]
All:38
Single:26
Double:12
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:455.502
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:4.67
LogP (Chemaxon):5.08

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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