Chemical ID: 4723095

Cc1ccc(cc1)c2nc(c(nn2)C)Sc3ccc(cc3)F
Chemical ID:
4723095
Name [?]:
5-(4-fluorophenyl)sulfanyl-6-methyl-3-(p-tolyl)-1,2,4-triazine
SMILES [?]:
Cc1ccc(cc1)c2nc(c(nn2)C)Sc3ccc(cc3)F
InChi [?]:
InChI=1/C17H14FN3S/c1-11-3-5-13(6-4-11)16-19-17(12(2)20-21-16)22-15-9-7-14(18)8-10-15/h3-10H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,14,3,7,4,6,18,20,17,21,2,11,5,19,16,8,10,22,9,12,13,15/E:(3,4)(5,6)(7,8)(9,10)/rA:22nCCCCCCCCNCCNNCSCCCCCCF/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s10;d11;d8s12;s11;s10;s15;s16;d17;s18;d19;d16s20;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H14FN3S
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:9.96296
Area:485.344
Solvation:-2.17065
Coulombic:-16.8802
Bond Count [?]
All:24
Single:15
Double:9
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:311.378
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:4.61
LogP (Chemaxon):4.61

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Descriptor Annotations

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