Chemical ID: 4822013

Cc1ccc(c(c1)Nc2c(nc3c(n2)non3)Nc4cc(ccc4C)C)C
Chemical ID:
4822013
Name [?]:
N,N'-bis(2,5-dimethylphenyl)-8-oxa-2,5,7,9-tetrazabicyclo[4.3.0]nona-2,4,6,9-tetraene-3,4-diamine
SMILES [?]:
Cc1ccc(c(c1)Nc2c(nc3c(n2)non3)Nc4cc(ccc4C)C)C
InChi [?]:
InChI=1/C20H20N6O/c1-11-5-7-13(3)15(9-11)21-17-18(24-20-19(23-17)25-27-26-20)22-16-10-12(2)6-8-14(16)4/h5-10H,1-4H3,(H,21,23,25)(H,22,24,26)
InChi Info:
AuxInfo=1/1/N:1,26,27,25,3,22,4,23,7,20,2,21,5,24,6,19,9,10,13,12,8,18,14,11,15,17,16/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(19,20)(21,22)(23,24)(25,26)/gE:(1,2)/rA:27nCCCCCCCNCCNCCNNONNCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;d10;s11;s12;d9s13;d13;s15;d12s16;s10;s18;s19;d20;s21;d22;d19s23;s24;s21;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H20N6O
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:12.3663
Area:565.24
Solvation:-1.76475
Coulombic:-42.0233
Bond Count [?]
All:30
Single:20
Double:10
Rotors:4
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:360.413
H-Bond Donors:2
H-Bond Acceptors:2
XLogP:6.14
LogP (Chemaxon):5.75

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Descriptor Annotations

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