Chemical ID: 7699128

CCC(C)C(=O)Nc1c(n(n(c1=O)c2ccccc2)C)C
Chemical ID:
7699128
Name [?]:
None
SMILES [?]:
CCC(C)C(=O)Nc1c(n(n(c1=O)c2ccccc2)C)C
InChi [?]:
InChI=1/C16H21N3O2/c1-5-11(2)15(20)17-14-12(3)18(4)19(16(14)21)13-9-7-6-8-10-13/h6-11H,5H2,1-4H3,(H,17,20)
InChi Info:
AuxInfo=1/1/N:1,4,21,20,2,17,16,18,15,19,3,9,14,8,5,12,7,10,11,6,13/E:(7,8)(9,10)/rA:21cCCCCCONCCNNCOCCCCCCCC/rB:s1;s2;s3;s3;d5;s5;s7;d8;s9;s10;s8s11;d12;s11;s14;d15;s16;d17;d14s18;s10;s9;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H21N3O2
All Atoms:42
Heavy Atoms:21
Chiral Atoms:None
ZAP Information [?]
Total:8.95623
Area:493.625
Solvation:-3.3844
Coulombic:-38.6354
Bond Count [?]
All:22
Single:16
Double:6
Rotors:5
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:2.22
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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