Chemical ID: 7379701

Cc1cc(nc(n1)C2=NC(n3c(ncn3)N2)c4ccccc4)C
Chemical ID:
7379701
Name [?]:
4-(4,6-dimethylpyrimidin-2-yl)-2-phenyl-1,3,5,7,9-pentazabicyclo[4.3.0]nona-3,6,8-triene
SMILES [?]:
Cc1cc(nc(n1)C2=NC(n3c(ncn3)N2)c4ccccc4)C
InChi [?]:
InChI=1/C16H15N7/c1-10-8-11(2)20-13(19-10)14-21-15(12-6-4-3-5-7-12)23-16(22-14)17-9-18-23/h3-9,15H,1-2H3,(H,17,18,21,22)
InChi Info:
AuxInfo=1/1/N:1,23,20,19,21,18,22,3,14,2,4,17,6,8,10,12,13,15,7,5,9,16,11/E:(1,2)(4,5)(6,7)(10,11)(19,20)/rA:23cCCCCNCNCNCNCNCNNCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s9;s10;s11;d12;s13;s11d14;s8s12;s10;s17;d18;s19;d20;d17s21;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H15N7
All Atoms:38
Heavy Atoms:23
Chiral Atoms:1
ZAP Information [?]
Total:9.79899
Area:501.15
Solvation:-2.72976
Coulombic:-42.3609
Bond Count [?]
All:26
Single:17
Double:9
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:305.337
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:1.98
LogP (Chemaxon):3.19

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