Chemical ID: 4754551

CCCCN1Cc2c([nH]c3cc(nn3c2=O)C(C)(C)C)C1=O
Chemical ID:
4754551
Name [?]:
None
SMILES [?]:
CCCCN1Cc2c([nH]c3cc(nn3c2=O)C(C)(C)C)C1=O
InChi [?]:
InChI=1/C16H22N4O2/c1-5-6-7-19-9-10-13(15(19)22)17-12-8-11(16(2,3)4)18-20(12)14(10)21/h8,17H,5-7,9H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,18,19,20,2,3,4,11,6,7,12,10,8,15,21,17,9,13,5,14,16,22/E:(2,3,4)/rA:22nCCCCNCCCNCCCNNCOCCCCCO/rB:s1;s2;s3;s4;s5;s6;d7;s8;s9;d10;s11;d12;s10s13;s7s14;d15;s12;s17;s17;s17;s5s8;d21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H22N4O2
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:9.79739
Area:514.282
Solvation:-3.05966
Coulombic:-43.8875
Bond Count [?]
All:24
Single:19
Double:5
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:302.372
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:2.19
LogP (Chemaxon):2.37

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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