Chemical ID: 4375139

c1ccc2c(c1)C3N(C(=O)c4ccccc4N3C2=O)Cc5ccco5
Chemical ID:
4375139
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)C3N(C(=O)c4ccccc4N3C2=O)Cc5ccco5
InChi [?]:
InChI=1/C20H14N2O3/c23-19-16-9-3-4-10-17(16)22-18(21(19)12-13-6-5-11-25-13)14-7-1-2-8-15(14)20(22)24/h1-11,18H,12H2
InChi Info:
AuxInfo=1/0/N:1,2,13,14,23,22,6,3,12,15,24,20,21,5,4,11,16,7,9,18,8,17,10,19,25/rA:25cCCCCCCCNCOCCCCCCNCOCCCCCO/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;d9;s9;s11;d12;s13;d14;d11s15;s7s16;s4s17;d18;s8;s20;d21;s22;d23;s21s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H14N2O3
All Atoms:25
Heavy Atoms:25
Chiral Atoms:1
ZAP Information [?]
Total:9.29935
Area:488.39
Solvation:-2.91041
Coulombic:-43.4947
Bond Count [?]
All:29
Single:19
Double:10
Rotors:2
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:330.337
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:2.81
LogP (Chemaxon):2.63

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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