Chemical ID: 7010446

c1cc(ccc1C=C2C(=O)N(C(=O)S2)CCCC(=O)Nc3nccs3)Cl
Chemical ID:
7010446
Name [?]:
4-[5-[(4-chlorophenyl)methylene]-2,4-dioxo-thiazolidin-3-yl]-N-thiazol-2-yl-butanamide
SMILES [?]:
c1cc(ccc1C=C2C(=O)N(C(=O)S2)CCCC(=O)Nc3nccs3)Cl
InChi [?]:
InChI=1/C17H14ClN3O3S2/c18-12-5-3-11(4-6-12)10-13-15(23)21(17(24)26-13)8-1-2-14(22)20-16-19-7-9-25-16/h3-7,9-10H,1-2,8H2,(H,19,20,22)
InChi Info:
AuxInfo=1/1/N:16,17,1,5,2,4,23,15,24,7,6,3,8,18,9,21,12,26,22,20,11,19,10,13,25,14/E:(3,4)(5,6)/rA:26nCCCCCCCCCONCOSCCCCONCNCCSCl/rB:s1;d2;s3;d4;d1s5;s6;w7;s8;d9;s9;s11;d12;s8s12;s11;s15;s16;s17;d18;s18;s20;d21;s22;d23;s21s24;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H14ClN3O3S2
All Atoms:40
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:10.8947
Area:619.322
Solvation:-4.58831
Coulombic:-52.7449
Bond Count [?]
All:28
Single:19
Double:9
Rotors:7
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:407.896
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:2.02
LogP (Chemaxon):3.37

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Descriptor Annotations

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