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Chemical ID: 7001748
Chemical ID:
7001748
Name [?]:
2-(2-ethoxyphenyl)amino-5-(3-pyridylmethylene)thiazol-4-one
SMILES [?]:
CCOc1ccccc1NC2=NC(=O)C(=Cc3cccnc3)S2
InChi [?]:
InChI=1/C17H15N3O2S/c1-2-22-14-8-4-3-7-13(14)19-17-20-16(21)15(23-17)10-12-6-5-9-18-11-12/h3-11H,2H2,1H3,(H,19,20,21)
InChi Info:
AuxInfo=1/1/N:1,2,7,6,19,18,8,5,20,16,22,17,9,4,15,13,11,21,10,12,14,3,23/rA:23nCCOCCCCCCNCNCOCCCCCCNCS/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;d11;s12;d13;s13;w15;s16;s17;d18;s19;d20;d17s21;s11s15;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H15N3O2S |
All Atoms: | 38 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.62436 |
Area: | 523.98 |
Solvation: | -3.47515 |
Coulombic: | -41.5374 |
Bond Count [?]
All: | 25 |
Single: | 16 |
Double: | 9 |
Rotors: | 5 |
Chiral: | 1 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 325.386 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 2.44 |
LogP (Chemaxon): | 2.98 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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