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Chemical ID: 7144165
Chemical ID:
7144165
Name [?]:
5-[3-(2-furyl)prop-2-enylidene]-2-(2-naphthylamino)thiazol-4-one
SMILES [?]:
c1ccc2cc(ccc2c1)NC3=NC(=O)C(=CC=Cc4ccco4)S3
InChi [?]:
InChI=1/C20H14N2O2S/c23-19-18(9-3-7-17-8-4-12-24-17)25-20(22-19)21-16-11-10-14-5-1-2-6-15(14)13-16/h1-13H,(H,21,22,23)
InChi Info:
AuxInfo=1/1/N:1,2,18,22,10,3,19,21,17,8,7,23,5,9,4,6,20,16,14,12,11,13,15,24,25/rA:25nCCCCCCCCCCNCNCOCCCCCCCCOS/rB:s1;d2;s3;s4;d5;s6;d7;d4s8;d1s9;s6;s11;d12;s13;d14;s14;w16;s17;w18;s19;d20;s21;d22;s20s23;s12s16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H14N2O2S |
All Atoms: | 39 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.0979 |
Area: | 568.737 |
Solvation: | -3.12052 |
Coulombic: | -37.545 |
Bond Count [?]
All: | 28 |
Single: | 17 |
Double: | 11 |
Rotors: | 4 |
Chiral: | 2 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 346.403 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.59 |
LogP (Chemaxon): | 4.69 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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