Chemical ID: 5083092

c1ccnc(c1)N=C2NC(=O)C(S2)Cc3ccc(c(c3)Cl)Cl
Chemical ID:
5083092
Name [?]:
5-[(3,4-dichlorophenyl)methyl]-2-(2-pyridylimino)thiazolidin-4-one
SMILES [?]:
c1ccnc(c1)N=C2NC(=O)C(S2)Cc3ccc(c(c3)Cl)Cl
InChi [?]:
InChI=1/C15H11Cl2N3OS/c16-10-5-4-9(7-11(10)17)8-12-14(21)20-15(22-12)19-13-3-1-2-6-18-13/h1-7,12H,8H2,(H,18,19,20,21)
InChi Info:
AuxInfo=1/1/N:1,2,6,16,17,3,20,14,15,18,19,12,5,10,8,22,21,4,7,9,11,13/rA:22cCCCNCCNCNCOCSCCCCCCCClCl/rB:s1;d2;s3;d4;d1s5;s5;w7;s8;s9;d10;s10;s8s12;s12;s14;s15;d16;s17;d18;d15s19;s19;s18;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H11Cl2N3OS
All Atoms:22
Heavy Atoms:22
Chiral Atoms:1
ZAP Information [?]
Total:11.0454
Area:535.43
Solvation:-2.34031
Coulombic:-34.4223
Bond Count [?]
All:24
Single:16
Double:8
Rotors:3
Chiral:1
Rigid Segments:3
Chemical Properties
Molecular Weight:352.239
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.41
LogP (Chemaxon):4.82

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Descriptor Annotations

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