Chemical ID: 4562094

COc1ccc(cc1OC)CNC(=O)c2c(c3cccc4c3n(c2=O)CCC4)O
Chemical ID:
4562094
Name [?]:
None
SMILES [?]:
COc1ccc(cc1OC)CNC(=O)c2c(c3cccc4c3n(c2=O)CCC4)O
InChi [?]:
InChI=1/C22H22N2O5/c1-28-16-9-8-13(11-17(16)29-2)12-23-21(26)18-20(25)15-7-3-5-14-6-4-10-24(19(14)15)22(18)27/h3,5,7-9,11,25H,4,6,10,12H2,1-2H3,(H,23,26)
InChi Info:
AuxInfo=1/1/N:1,10,19,27,20,28,18,5,4,26,7,11,6,21,17,3,8,15,22,16,13,24,12,23,29,14,25,2,9/rA:29nCOCCCCCCOCCNCOCCCCCCCCNCOCCCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s6;s11;s12;d13;s13;d15;s16;s17;d18;s19;d20;d17s21;s22;s15s23;d24;s23;s26;s21s27;s16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H22N2O5
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:8.51788
Area:603.356
Solvation:-6.56602
Coulombic:-67.9466
Bond Count [?]
All:32
Single:23
Double:9
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:394.421
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:2.53
LogP (Chemaxon):3.09

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