Chemical ID: 6787351

CC12CC(c3ccc(cc3O1)OC)C(C(=O)N2)C(=O)c4ccccc4OC
Chemical ID:
6787351
Name [?]:
None
SMILES [?]:
CC12CC(c3ccc(cc3O1)OC)C(C(=O)N2)C(=O)c4ccccc4OC
InChi [?]:
InChI=1/C21H21NO5/c1-21-11-15(13-9-8-12(25-2)10-17(13)27-21)18(20(24)22-21)19(23)14-6-4-5-7-16(14)26-3/h4-10,15,18H,11H2,1-3H3,(H,22,24)
InChi Info:
AuxInfo=1/1/N:1,13,27,22,23,21,24,7,6,9,3,8,5,20,4,25,10,14,18,15,2,17,19,16,12,26,11/rA:27cCCCCCCCCCCOOCCCONCOCCCCCCOC/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s2s10;s8;s12;s4;s14;d15;s2s15;s14;d18;s18;s20;d21;s22;d23;d20s24;s25;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H21NO5
All Atoms:48
Heavy Atoms:27
Chiral Atoms:3
ZAP Information [?]
Total:5.99543
Area:539.828
Solvation:-7.50028
Coulombic:-48.0974
Bond Count [?]
All:30
Single:22
Double:8
Rotors:4
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:367.395
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:2.66
LogP (Chemaxon):2.44

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Experimental Annotations

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Descriptor Annotations

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