Chemical ID: 7140090

CCCCc1ccc(cc1)N=C2NC(=O)C(=Cc3ccccc3OC)S2
Chemical ID:
7140090
Name [?]:
2-(4-butylphenyl)imino-5-[(2-methoxyphenyl)methylene]thiazolidin-4-one
SMILES [?]:
CCCCc1ccc(cc1)N=C2NC(=O)C(=Cc3ccccc3OC)S2
InChi [?]:
InChI=1/C21H22N2O2S/c1-3-4-7-15-10-12-17(13-11-15)22-21-23-20(24)19(26-21)14-16-8-5-6-9-18(16)25-2/h5-6,8-14H,3-4,7H2,1-2H3,(H,22,23,24)
InChi Info:
AuxInfo=1/1/N:1,25,2,3,20,21,4,19,22,6,10,7,9,17,5,18,8,23,16,14,12,11,13,15,24,26/E:(10,11)(12,13)/rA:26nCCCCCCCCCCNCNCOCCCCCCCCOCS/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s8;w11;s12;s13;d14;s14;w16;s17;s18;d19;s20;d21;d18s22;s23;s24;s12s16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H22N2O2S
All Atoms:48
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:12.0348
Area:600.939
Solvation:-2.98868
Coulombic:-38.2862
Bond Count [?]
All:28
Single:19
Double:9
Rotors:6
Chiral:2
Rigid Segments:6
Chemical Properties
Molecular Weight:366.478
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:5.05
LogP (Chemaxon):5.76

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Descriptor Annotations

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