Chemical ID: 4659987

c1cc(cc(c1)Cl)Cc2cnc(s2)N3C(=O)CSC3=N
Chemical ID:
4659987
Name [?]:
3-[5-[(3-chlorophenyl)methyl]thiazol-2-yl]-2-imino-thiazolidin-4-one
SMILES [?]:
c1cc(cc(c1)Cl)Cc2cnc(s2)N3C(=O)CSC3=N
InChi [?]:
InChI=1/C13H10ClN3OS2/c14-9-3-1-2-8(4-9)5-10-6-16-13(20-10)17-11(18)7-19-12(17)15/h1-4,6,15H,5,7H2
InChi Info:
AuxInfo=1/0/N:1,2,6,4,8,10,17,3,5,9,15,19,12,7,20,11,14,16,18,13/rA:20nCCCCCCClCCCNCSNCOCSCN/rB:s1;d2;s3;d4;d1s5;s5;s3;s8;d9;s10;d11;s9s12;s12;s14;d15;s15;s17;s14s18;w19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H10ClN3OS2
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:9.27277
Area:495.757
Solvation:-3.12115
Coulombic:-33.7755
Bond Count [?]
All:22
Single:15
Double:7
Rotors:3
Chiral:1
Rigid Segments:3
Chemical Properties
Molecular Weight:323.823
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:1.98
LogP (Chemaxon):3.2

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