Chemical ID: 5685006

COc1ccc(cc1)CNC(=O)c2c(=O)c3cccc4c3n(c2O)CCC4
Chemical ID:
5685006
Name [?]:
None
SMILES [?]:
COc1ccc(cc1)CNC(=O)c2c(=O)c3cccc4c3n(c2O)CCC4
InChi [?]:
InChI=1/C21H20N2O4/c1-27-15-9-7-13(8-10-15)12-22-20(25)17-19(24)16-6-2-4-14-5-3-11-23(18(14)16)21(17)26/h2,4,6-10,26H,3,5,11-12H2,1H3,(H,22,25)
InChi Info:
AuxInfo=1/1/N:1,18,26,19,27,17,5,7,4,8,25,9,6,20,3,16,13,21,14,11,23,10,22,15,12,24,2/E:(7,8)(9,10)/rA:27nCOCCCCCCCNCOCCOCCCCCCNCOCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;d11;s11;s13;d14;s14;s16;d17;s18;d19;d16s20;s21;d13s22;s23;s22;s25;s20s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H20N2O4
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:9.61644
Area:567.239
Solvation:-4.56452
Coulombic:-60.6905
Bond Count [?]
All:30
Single:21
Double:9
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:364.395
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:3.76
LogP (Chemaxon):4.0

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Descriptor Annotations

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