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Chemical ID: 6164532
Chemical ID:
6164532
Name [?]:
5-(2-furylmethylene)-2-phenylimino-thiazolidin-4-one
SMILES [?]:
c1ccc(cc1)N=C2NC(=O)C(=Cc3ccco3)S2
InChi [?]:
InChI=1/C14H10N2O2S/c17-13-12(9-11-7-4-8-18-11)19-14(16-13)15-10-5-2-1-3-6-10/h1-9H,(H,15,16,17)
InChi Info:
AuxInfo=1/1/N:1,2,6,16,3,5,15,17,13,4,14,12,10,8,7,9,11,18,19/E:(2,3)(5,6)/rA:19nCCCCCCNCNCOCCCCCCOS/rB:s1;d2;s3;d4;d1s5;s4;w7;s8;s9;d10;s10;w12;s13;d14;s15;d16;s14s17;s8s12;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H10N2O2S |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.84965 |
Area: | 445.133 |
Solvation: | -3.27868 |
Coulombic: | -33.6934 |
Bond Count [?]
All: | 21 |
Single: | 13 |
Double: | 8 |
Rotors: | 2 |
Chiral: | 2 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 270.307 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 1.79 |
LogP (Chemaxon): | 3.3 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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