Chemical ID: 6461898

COc1ccc(cc1)N=C2NC(=O)C(=Cc3ccc(cc3)C(F)(F)F)S2
Chemical ID:
6461898
Name [?]:
2-(4-methoxyphenyl)imino-5-[[4-(trifluoromethyl)phenyl]methylene]thiazolidin-4-one
SMILES [?]:
COc1ccc(cc1)N=C2NC(=O)C(=Cc3ccc(cc3)C(F)(F)F)S2
InChi [?]:
InChI=1/C18H13F3N2O2S/c1-25-14-8-6-13(7-9-14)22-17-23-16(24)15(26-17)10-11-2-4-12(5-3-11)18(19,20)21/h2-10H,1H3,(H,22,23,24)
InChi Info:
AuxInfo=1/1/N:1,17,21,18,20,5,7,4,8,15,16,19,6,3,14,12,10,22,23,24,25,9,11,13,2,26/E:(2,3)(4,5)(6,7)(8,9)(19,20,21)/rA:26nCOCCCCCCNCNCOCCCCCCCCCFFFS/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;w9;s10;s11;d12;s12;w14;s15;s16;d17;s18;d19;d16s20;s19;s22;s22;s22;s10s14;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H13F3N2O2S
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:9.82893
Area:548.682
Solvation:-3.88812
Coulombic:-54.9153
Bond Count [?]
All:28
Single:19
Double:9
Rotors:4
Chiral:2
Rigid Segments:5
Chemical Properties
Molecular Weight:378.369
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.93
LogP (Chemaxon):4.98

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Descriptor Annotations

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