Chemical ID: 4719634

COc1ccc(cc1)NC=Cc2nc(c(s2)C#N)C(F)(F)F
Chemical ID:
4719634
Name [?]:
2-[2-(4-methoxyphenyl)aminovinyl]-4-(trifluoromethyl)thiazole-5-carbonitrile
SMILES [?]:
COc1ccc(cc1)NC=Cc2nc(c(s2)C#N)C(F)(F)F
InChi [?]:
InChI=1/C14H10F3N3OS/c1-21-10-4-2-9(3-5-10)19-7-6-12-20-13(14(15,16)17)11(8-18)22-12/h2-7,19H,1H3
InChi Info:
AuxInfo=1/0/N:1,5,7,4,8,11,10,17,6,3,15,12,14,19,20,21,22,18,9,13,2,16/E:(2,3)(4,5)(15,16,17)/rA:22nCOCCCCCCNCCCNCCSCNCFFF/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;w10;s11;d12;s13;d14;s12s15;s15;t17;s14;s19;s19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H10F3N3OS
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:8.40874
Area:494.4
Solvation:-3.95125
Coulombic:-45.4489
Bond Count [?]
All:23
Single:16
Double:6
Rotors:5
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:325.31
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:2.46
LogP (Chemaxon):3.11

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