Chemical ID: 7741731

COc1ccc(cc1)CC(=O)N2CCC3(CC2)CC(=O)c4ccccc4O3
Chemical ID:
7741731
Name [?]:
None
SMILES [?]:
COc1ccc(cc1)CC(=O)N2CCC3(CC2)CC(=O)c4ccccc4O3
InChi [?]:
InChI=1/C22H23NO4/c1-26-17-8-6-16(7-9-17)14-21(25)23-12-10-22(11-13-23)15-19(24)18-4-2-3-5-20(18)27-22/h2-9H,10-15H2,1H3
InChi Info:
AuxInfo=1/0/N:1,23,24,22,25,5,7,4,8,14,16,13,17,9,18,6,3,21,19,26,10,15,12,20,11,2,27/E:(6,7)(8,9)(10,11)(12,13)/rA:27nCOCCCCCCCCONCCCCCCCOCCCCCCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;d10;s10;s12;s13;s14;s15;s12s16;s15;s18;d19;s19;s21;d22;s23;d24;d21s25;s15s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H23NO4
All Atoms:50
Heavy Atoms:27
Chiral Atoms:None
ZAP Information [?]
Total:8.77535
Area:565.774
Solvation:-5.369
Coulombic:-38.9556
Bond Count [?]
All:30
Single:22
Double:8
Rotors:4
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:3.02
LogP (Chemaxon):None

Name Annotations

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Descriptor Annotations

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