Chemical ID: 4561762

Cc1ccc2c(c1)C3CN(CCC3N2C(=S)Nc4cccc(c4)F)C
Chemical ID:
4561762
Name [?]:
None
SMILES [?]:
Cc1ccc2c(c1)C3CN(CCC3N2C(=S)Nc4cccc(c4)F)C
InChi [?]:
InChI=1/C20H22FN3S/c1-13-6-7-18-16(10-13)17-12-23(2)9-8-19(17)24(18)20(25)22-15-5-3-4-14(21)11-15/h3-7,10-11,17,19H,8-9,12H2,1-2H3,(H,22,25)
InChi Info:
AuxInfo=1/1/N:1,25,20,21,19,3,4,12,11,7,23,9,2,22,18,6,8,5,13,15,24,17,10,14,16/rA:25cCCCCCCCCCNCCCNCSNCCCCCCFC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;s10;s11;s8s12;s5s13;s14;d15;s15;s17;s18;d19;s20;d21;d18s22;s22;s10;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H22FN3S
All Atoms:25
Heavy Atoms:25
Chiral Atoms:3
ZAP Information [?]
Total:10.5622
Area:527.472
Solvation:-2.62455
Coulombic:-28.6037
Bond Count [?]
All:28
Single:21
Double:7
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:355.473
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.29
LogP (Chemaxon):4.27

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