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Chemical ID: 7353268
Chemical ID:
7353268
Name [?]:
2-anilino-5-[(4-butoxyphenyl)methylene]thiazol-4-one
SMILES [?]:
CCCCOc1ccc(cc1)C=C2C(=O)N=C(S2)Nc3ccccc3
InChi [?]:
InChI=1/C20H20N2O2S/c1-2-3-13-24-17-11-9-15(10-12-17)14-18-19(23)22-20(25-18)21-16-7-5-4-6-8-16/h4-12,14H,2-3,13H2,1H3,(H,21,22,23)
InChi Info:
AuxInfo=1/1/N:1,2,3,23,22,24,21,25,8,10,7,11,4,12,9,20,6,13,14,17,19,16,15,5,18/E:(5,6)(7,8)(9,10)(11,12)/rA:25nCCCCOCCCCCCCCCONCSNCCCCCC/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s9;w12;s13;d14;s14;d16;s13s17;s17;s19;s20;d21;s22;d23;d20s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H20N2O2S |
All Atoms: | 45 |
Heavy Atoms: | 25 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 11.5225 |
Area: | 583.422 |
Solvation: | -3.06303 |
Coulombic: | -38.4929 |
Bond Count [?]
All: | 27 |
Single: | 18 |
Double: | 9 |
Rotors: | 7 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 4.62 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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