Chemical ID: 7140132

CCCCc1ccc(cc1)N=C2NC(=O)C(=Cc3ccc(cc3OC)OC)S2
Chemical ID:
7140132
Name [?]:
2-(4-butylphenyl)imino-5-[(2,4-dimethoxyphenyl)methylene]thiazolidin-4-one
SMILES [?]:
CCCCc1ccc(cc1)N=C2NC(=O)C(=Cc3ccc(cc3OC)OC)S2
InChi [?]:
InChI=1/C22H24N2O3S/c1-4-5-6-15-7-10-17(11-8-15)23-22-24-21(25)20(28-22)13-16-9-12-18(26-2)14-19(16)27-3/h7-14H,4-6H2,1-3H3,(H,23,24,25)
InChi Info:
AuxInfo=1/1/N:1,27,25,2,3,4,6,10,19,7,9,20,17,22,5,18,8,21,23,16,14,12,11,13,15,26,24,28/E:(7,8)(10,11)/rA:28nCCCCCCCCCCNCNCOCCCCCCCCOCOCS/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;s21;s26;s12s16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H24N2O3S
All Atoms:52
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:11.8183
Area:638.383
Solvation:-4.14132
Coulombic:-44.515
Bond Count [?]
All:30
Single:21
Double:9
Rotors:7
Chiral:2
Rigid Segments:7
Chemical Properties
Molecular Weight:396.504
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:4.96
LogP (Chemaxon):5.5

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Descriptor Annotations

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