Chemical ID: 5363054

CCN=C1N(C(=O)C(S1)CC(=O)Nc2cccc(c2Cl)Cl)CC
Chemical ID:
5363054
Name [?]:
N-(2,3-dichlorophenyl)-2-(3-ethyl-2-ethylimino-4-oxo-thiazolidin-5-yl)-acetamide
SMILES [?]:
CCN=C1N(C(=O)C(S1)CC(=O)Nc2cccc(c2Cl)Cl)CC
InChi [?]:
InChI=1/C15H17Cl2N3O2S/c1-3-18-15-20(4-2)14(22)11(23-15)8-12(21)19-10-7-5-6-9(16)13(10)17/h5-7,11H,3-4,8H2,1-2H3,(H,19,21)
InChi Info:
AuxInfo=1/1/N:1,23,2,22,16,17,15,10,18,14,8,11,19,6,4,21,20,3,13,5,12,7,9/rA:23cCCNCNCOCSCCONCCCCCCClClCC/rB:s1;s2;w3;s4;s5;d6;s6;s4s8;s8;s10;d11;s11;s13;s14;d15;s16;d17;d14s18;s19;s18;s5;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H17Cl2N3O2S
All Atoms:23
Heavy Atoms:23
Chiral Atoms:1
ZAP Information [?]
Total:10.9275
Area:562.899
Solvation:-3.14493
Coulombic:-42.7159
Bond Count [?]
All:24
Single:18
Double:6
Rotors:6
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:374.286
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:2.5
LogP (Chemaxon):2.84

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Descriptor Annotations

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