Chemical ID: 7352466

Cc1c2c(cc(n1)C(=O)NC(C)C(=O)NCc3ccco3)c4ccccc4[nH]2
Chemical ID:
7352466
Name [?]:
None
SMILES [?]:
Cc1c2c(cc(n1)C(=O)NC(C)C(=O)NCc3ccco3)c4ccccc4[nH]2
InChi [?]:
InChI=1/C21H20N4O3/c1-12-19-16(15-7-3-4-8-17(15)25-19)10-18(23-12)21(27)24-13(2)20(26)22-11-14-6-5-9-28-14/h3-10,13,25H,11H2,1-2H3,(H,22,26)(H,24,27)
InChi Info:
AuxInfo=1/1/N:1,12,24,25,19,18,23,26,20,5,16,2,11,17,22,4,27,6,3,13,8,15,7,10,28,14,9,21/rA:28cCCCCCCNCONCCCONCCCCCOCCCCCCN/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;s10;s11;s11;d13;s13;s15;s16;d17;s18;d19;s17s20;s4;s22;d23;s24;d25;d22s26;s3s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H20N4O3
All Atoms:48
Heavy Atoms:28
Chiral Atoms:None
ZAP Information [?]
Total:11.385
Area:614.161
Solvation:-3.96897
Coulombic:-67.4493
Bond Count [?]
All:31
Single:21
Double:10
Rotors:7
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:2.19
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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