Chemical ID: 5178763

COc1ccc(cc1)CNC(=O)CN2c3cccc4c3c(ccc4)C2=O
Chemical ID:
5178763
Name [?]:
None
SMILES [?]:
COc1ccc(cc1)CNC(=O)CN2c3cccc4c3c(ccc4)C2=O
InChi [?]:
InChI=1/C21H18N2O3/c1-26-16-10-8-14(9-11-16)12-22-19(24)13-23-18-7-3-5-15-4-2-6-17(20(15)18)21(23)25/h2-11H,12-13H2,1H3,(H,22,24)
InChi Info:
AuxInfo=1/1/N:1,23,17,24,18,22,16,5,7,4,8,9,13,6,19,3,21,15,11,20,25,10,14,12,26,2/E:(8,9)(10,11)/rA:26nCOCCCCCCCNCOCNCCCCCCCCCCCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;d11;s11;s13;s14;s15;d16;s17;d18;d15s19;s20;d21;s22;s19d23;s14s21;d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H18N2O3
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:9.36569
Area:560.638
Solvation:-4.65025
Coulombic:-46.3854
Bond Count [?]
All:29
Single:19
Double:10
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:346.379
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:3.18
LogP (Chemaxon):2.28

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Descriptor Annotations

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