Chemical ID: 4913449

CN(C)CCc1cc(c2c3c1c(=O)oc4c3c(ccc4OC)c(=O)o2)OC
Chemical ID:
4913449
Name [?]:
None
SMILES [?]:
CN(C)CCc1cc(c2c3c1c(=O)oc4c3c(ccc4OC)c(=O)o2)OC
InChi [?]:
InChI=1/C20H19NO6/c1-21(2)8-7-10-9-13(25-4)18-16-14(10)20(23)27-17-12(24-3)6-5-11(15(16)17)19(22)26-18/h5-6,9H,7-8H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,3,22,27,18,19,5,4,7,6,17,20,8,11,16,10,15,9,23,12,2,24,13,21,26,25,14/E:(1,2)/rA:27nCNCCCCCCCCCCOOCCCCCCOCCOOOC/rB:s1;s2;s2;s4;s5;s6;d7;s8;d9;d6s10;s11;d12;s12;s14;s10s15;d16;s17;d18;d15s19;s20;s21;s17;d23;s9s23;s8;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H19NO6
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:6.5169
Area:532.965
Solvation:-6.80721
Coulombic:-54.652
Bond Count [?]
All:30
Single:22
Double:8
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:369.368
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:2.66
LogP (Chemaxon):2.13

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Experimental Annotations

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Descriptor Annotations

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