Chemical ID: 4907247

CC1c2cc(c(cc2CC3N1CCc4c3cc(c(c4)OC)OC)OC)OC
Chemical ID:
4907247
Name [?]:
None
SMILES [?]:
CC1c2cc(c(cc2CC3N1CCc4c3cc(c(c4)OC)OC)OC)OC
InChi [?]:
InChI=1/C22H27NO4/c1-13-16-11-21(26-4)20(25-3)10-15(16)8-18-17-12-22(27-5)19(24-2)9-14(17)6-7-23(13)18/h9-13,18H,6-8H2,1-5H3
InChi Info:
AuxInfo=1/0/N:1,21,25,27,23,13,12,9,19,7,4,16,2,14,8,3,15,10,18,6,5,17,11,20,24,26,22/rA:27cCCCCCCCCCCNCCCCCCCCOCOCOCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s2s10;s11;s12;s13;s10s14;d15;s16;d17;d14s18;s18;s20;s17;s22;s6;s24;s5;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H27NO4
All Atoms:27
Heavy Atoms:27
Chiral Atoms:3
ZAP Information [?]
Total:5.47618
Area:557.512
Solvation:-8.46162
Coulombic:-32.6879
Bond Count [?]
All:30
Single:24
Double:6
Rotors:4
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:369.454
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:2.93
LogP (Chemaxon):3.15

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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