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Chemical ID: 6489845
Chemical ID:
6489845
Name [?]:
2-phenylimino-5-[[4-(trifluoromethyl)phenyl]methylene]thiazolidin-4-one
SMILES [?]:
c1ccc(cc1)N=C2NC(=O)C(=Cc3ccc(cc3)C(F)(F)F)S2
InChi [?]:
InChI=1/C17H11F3N2OS/c18-17(19,20)12-8-6-11(7-9-12)10-14-15(23)22-16(24-14)21-13-4-2-1-3-5-13/h1-10H,(H,21,22,23)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,15,19,16,18,13,14,17,4,12,10,8,20,21,22,23,7,9,11,24/E:(2,3)(4,5)(6,7)(8,9)(18,19,20)/rA:24nCCCCCCNCNCOCCCCCCCCCFFFS/rB:s1;d2;s3;d4;d1s5;s4;w7;s8;s9;d10;s10;w12;s13;s14;d15;s16;d17;d14s18;s17;s20;s20;s20;s8s12;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H11F3N2OS |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.2942 |
Area: | 511.366 |
Solvation: | -2.48999 |
Coulombic: | -48.9935 |
Bond Count [?]
All: | 26 |
Single: | 17 |
Double: | 9 |
Rotors: | 3 |
Chiral: | 2 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 348.343 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.02 |
LogP (Chemaxon): | 5.23 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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