Chemical ID: 3918424

Cc1ccn2c(c1)nc(c2NC(C)(C)C)c3ccc(cc3)F
Chemical ID:
3918424
Name [?]:
8-(4-fluorophenyl)-4-methyl-N-tert-butyl-1,7-diazabicyclo[4.3.0]nona-2,4,6,8-tetraen-9-amine
SMILES [?]:
Cc1ccn2c(c1)nc(c2NC(C)(C)C)c3ccc(cc3)F
InChi [?]:
InChI=1/C18H20FN3/c1-12-9-10-22-15(11-12)20-16(17(22)21-18(2,3)4)13-5-7-14(19)8-6-13/h5-11,21H,1-4H3
InChi Info:
AuxInfo=1/0/N:1,13,14,15,17,21,18,20,3,4,7,2,16,19,6,9,10,12,22,8,11,5/E:(2,3,4)(5,6)(7,8)/rA:22nCCCCNCCNCCNCCCCCCCCCCF/rB:s1;s2;d3;s4;s5;d2s6;d6;s8;s5d9;s10;s11;s12;s12;s12;s9;s16;d17;s18;d19;d16s20;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H20FN3
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:9.37538
Area:464.874
Solvation:-2.24648
Coulombic:-28.8381
Bond Count [?]
All:24
Single:17
Double:7
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:297.37
H-Bond Donors:1
H-Bond Acceptors:1
XLogP:4.9
LogP (Chemaxon):4.38

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