Chemical ID: 6882700

Cc1c(ccc2c1oc(=O)c3c2CCC3)OCC(=O)Nc4ccccc4OC
Chemical ID:
6882700
Name [?]:
None
SMILES [?]:
Cc1c(ccc2c1oc(=O)c3c2CCC3)OCC(=O)Nc4ccccc4OC
InChi [?]:
InChI=1/C22H21NO5/c1-13-18(27-12-20(24)23-17-8-3-4-9-19(17)26-2)11-10-15-14-6-5-7-16(14)22(25)28-21(13)15/h3-4,8-11H,5-7,12H2,1-2H3,(H,23,24)
InChi Info:
AuxInfo=1/1/N:1,28,23,24,14,13,15,22,25,5,4,17,2,12,6,11,21,3,26,18,7,9,20,19,10,27,16,8/rA:28nCCCCCCCOCOCCCCCOCCONCCCCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s6d11;s12;s13;s11s14;s3;s16;s17;d18;s18;s20;s21;d22;s23;d24;d21s25;s26;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H21NO5
All Atoms:49
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:8.72283
Area:590.955
Solvation:-6.05105
Coulombic:-54.3656
Bond Count [?]
All:31
Single:22
Double:9
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:379.406
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:3.09
LogP (Chemaxon):3.98

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Experimental Annotations

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Descriptor Annotations

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