Chemical ID: 4563311

CN1CCc2cc3c(c(c2C1CC(=O)c4cc5ccccc5o4)OC)OCO3
Chemical ID:
4563311
Name [?]:
None
SMILES [?]:
CN1CCc2cc3c(c(c2C1CC(=O)c4cc5ccccc5o4)OC)OCO3
InChi [?]:
InChI=1/C22H21NO5/c1-23-8-7-14-10-19-21(27-12-26-19)22(25-2)20(14)15(23)11-16(24)18-9-13-5-3-4-6-17(13)28-18/h3-6,9-10,15H,7-8,11-12H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,25,19,20,18,21,4,3,16,6,12,27,17,5,11,13,22,15,7,10,8,9,2,14,24,28,26,23/rA:28cCNCCCCCCCCCCCOCCCCCCCCOOCOCO/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s2s10;s11;s12;d13;s13;d15;s16;s17;d18;s19;d20;d17s21;s15s22;s9;s24;s8;s26;s7s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H21NO5
All Atoms:28
Heavy Atoms:28
Chiral Atoms:2
ZAP Information [?]
Total:8.58177
Area:553.595
Solvation:-5.2581
Coulombic:-45.8273
Bond Count [?]
All:32
Single:24
Double:8
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:379.406
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:2.93
LogP (Chemaxon):3.01

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Descriptor Annotations

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