Chemical ID: 4563621

CN(C)c1c2c(c3cc(c(cc3[nH]2)OC)OC)ncn1
Chemical ID:
4563621
Name [?]:
None
SMILES [?]:
CN(C)c1c2c(c3cc(c(cc3[nH]2)OC)OC)ncn1
InChi [?]:
InChI=1/C14H16N4O2/c1-18(2)14-13-12(15-7-16-14)8-5-10(19-3)11(20-4)6-9(8)17-13/h5-7,17H,1-4H3
InChi Info:
AuxInfo=1/0/N:1,3,17,15,8,11,19,7,12,9,10,6,5,4,18,20,13,2,16,14/E:(1,2)/rA:20nCNCCCCCCCCCCNOCOCNCN/rB:s1;s2;s2;s4;d5;s6;s7;d8;s9;d10;d7s11;s5s12;s10;s14;s9;s16;s6;d18;d4s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H16N4O2
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:6.19387
Area:448.965
Solvation:-5.03026
Coulombic:-42.3405
Bond Count [?]
All:22
Single:16
Double:6
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:272.303
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:1.83
LogP (Chemaxon):2.57

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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