Chemical ID: 4819666

Cc1cccc(n1)N=C2NC(=O)C(S2)Cc3ccc(c(c3)Cl)Cl
Chemical ID:
4819666
Name [?]:
5-[(3,4-dichlorophenyl)methyl]-2-[(6-methyl-2-pyridyl)imino]thiazolidin-4-one
SMILES [?]:
Cc1cccc(n1)N=C2NC(=O)C(S2)Cc3ccc(c(c3)Cl)Cl
InChi [?]:
InChI=1/C16H13Cl2N3OS/c1-9-3-2-4-14(19-9)20-16-21-15(22)13(23-16)8-10-5-6-11(17)12(18)7-10/h2-7,13H,8H2,1H3,(H,19,20,21,22)
InChi Info:
AuxInfo=1/1/N:1,4,3,5,17,18,21,15,2,16,19,20,13,6,11,9,23,22,7,8,10,12,14/rA:23cCCCCCCNNCNCOCSCCCCCCCClCl/rB:s1;s2;d3;s4;d5;d2s6;s6;w8;s9;s10;d11;s11;s9s13;s13;s15;s16;d17;s18;d19;d16s20;s20;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H13Cl2N3OS
All Atoms:23
Heavy Atoms:23
Chiral Atoms:1
ZAP Information [?]
Total:11.5383
Area:552.299
Solvation:-2.26922
Coulombic:-34.302
Bond Count [?]
All:25
Single:17
Double:8
Rotors:3
Chiral:1
Rigid Segments:3
Chemical Properties
Molecular Weight:366.265
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.72
LogP (Chemaxon):4.99

Name Annotations

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Descriptor Annotations

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