Chemical ID: 7676219

c1ccc(cc1)C2C(C(=O)N=C(N2)N3CCOCC3)C#N
Chemical ID:
7676219
Name [?]:
None
SMILES [?]:
c1ccc(cc1)C2C(C(=O)N=C(N2)N3CCOCC3)C#N
InChi [?]:
InChI=1/C15H16N4O2/c16-10-12-13(11-4-2-1-3-5-11)17-15(18-14(12)20)19-6-8-21-9-7-19/h1-5,12-13H,6-9H2,(H,17,18,20)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,15,19,16,18,20,4,8,7,9,12,21,13,11,14,10,17/E:(2,3)(4,5)(6,7)(8,9)/rA:21cCCCCCCCCCONCNNCCOCCCN/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s9;d11;s7s12;s12;s14;s15;s16;s17;s14s18;s8;t20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H16N4O2
All Atoms:37
Heavy Atoms:21
Chiral Atoms:None
ZAP Information [?]
Total:7.50401
Area:472.376
Solvation:-4.30538
Coulombic:-44.663
Bond Count [?]
All:23
Single:17
Double:5
Rotors:2
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:0.71
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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