Chemical ID: 4702711

c1cc(cc(c1)C(F)(F)F)CN2c3cc(ccc3N4CSCC4C2=O)C(F)(F)F
Chemical ID:
4702711
Name [?]:
None
SMILES [?]:
c1cc(cc(c1)C(F)(F)F)CN2c3cc(ccc3N4CSCC4C2=O)C(F)(F)F
InChi [?]:
InChI=1/C19H14F6N2OS/c20-18(21,22)12-3-1-2-11(6-12)8-26-15-7-13(19(23,24)25)4-5-14(15)27-10-29-9-16(27)17(26)28/h1-7,16H,8-10H2
InChi Info:
AuxInfo=1/0/N:1,2,6,16,17,4,14,11,22,20,3,5,15,18,13,23,24,7,26,8,9,10,27,28,29,12,19,25,21/E:(20,21,22)(23,24,25)/rA:29cCCCCCCCFFFCNCCCCCCNCSCCCOCFFF/rB:s1;d2;s3;d4;d1s5;s5;s7;s7;s7;s3;s11;s12;s13;d14;s15;d16;d13s17;s18;s19;s20;s21;s19s22;s12s23;d24;s15;s26;s26;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H14F6N2OS
All Atoms:29
Heavy Atoms:29
Chiral Atoms:2
ZAP Information [?]
Total:9.37281
Area:527.629
Solvation:-3.81791
Coulombic:-62.5894
Bond Count [?]
All:32
Single:25
Double:7
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:432.384
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:5.16
LogP (Chemaxon):5.43

Name Annotations

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Descriptor Annotations

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