Chemical ID: 4702713

Cc1ccc(cc1)CN2c3cc(ccc3N4CSCC4C2=O)C(F)(F)F
Chemical ID:
4702713
Name [?]:
None
SMILES [?]:
Cc1ccc(cc1)CN2c3cc(ccc3N4CSCC4C2=O)C(F)(F)F
InChi [?]:
InChI=1/C19H17F3N2OS/c1-12-2-4-13(5-3-12)9-23-16-8-14(19(20,21)22)6-7-15(16)24-11-26-10-17(24)18(23)25/h2-8,17H,9-11H2,1H3
InChi Info:
AuxInfo=1/0/N:1,3,7,4,6,13,14,11,8,19,17,2,5,12,15,10,20,21,23,24,25,26,9,16,22,18/E:(2,3)(4,5)(20,21,22)/rA:26cCCCCCCCCNCCCCCCNCSCCCOCFFF/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;s10;d11;s12;d13;d10s14;s15;s16;s17;s18;s16s19;s9s20;d21;s12;s23;s23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H17F3N2OS
All Atoms:26
Heavy Atoms:26
Chiral Atoms:2
ZAP Information [?]
Total:9.80748
Area:513.281
Solvation:-3.02455
Coulombic:-44.1985
Bond Count [?]
All:29
Single:22
Double:7
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:378.412
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:4.67
LogP (Chemaxon):5.01

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