Chemical ID: 7353268

CCCCOc1ccc(cc1)C=C2C(=O)N=C(S2)Nc3ccccc3
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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