Chemical ID: 7353824

COc1cccc(c1C(=O)N2CCc3cc4c(cc3C2=C)OCO4)OC
Chemical ID:
7353824
Name [?]:
None
SMILES [?]:
COc1cccc(c1C(=O)N2CCc3cc4c(cc3C2=C)OCO4)OC
InChi [?]:
InChI=1/C20H19NO5/c1-12-14-10-18-17(25-11-26-18)9-13(14)7-8-21(12)20(22)19-15(23-2)5-4-6-16(19)24-3/h4-6,9-10H,1,7-8,11H2,2-3H3
InChi Info:
AuxInfo=1/0/N:21,1,26,5,4,6,13,12,15,18,23,20,14,19,3,7,16,17,8,9,11,10,2,25,24,22/E:(2,3)(5,6)(15,16)(23,24)/rA:26nCOCCCCCCCONCCCCCCCCCCOCOOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;d9;s9;s11;s12;s13;s14;d15;s16;d17;d14s18;s11s19;d20;s17;s22;s16s23;s7;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H19NO5
All Atoms:45
Heavy Atoms:26
Chiral Atoms:None
ZAP Information [?]
Total:6.60349
Area:528.242
Solvation:-6.60256
Coulombic:-47.1441
Bond Count [?]
All:29
Single:21
Double:8
Rotors:4
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:3.41
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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