Chemical ID: 5770002

c1ccc(cc1)CN=C2N(C(=O)C(=Cc3cccnc3)S2)Cc4ccccc4
Chemical ID:
5770002
Name [?]:
3-benzyl-2-benzylimino-5-(3-pyridylmethylene)thiazolidin-4-one
SMILES [?]:
c1ccc(cc1)CN=C2N(C(=O)C(=Cc3cccnc3)S2)Cc4ccccc4
InChi [?]:
InChI=1/C23H19N3OS/c27-22-21(14-20-12-7-13-24-15-20)28-23(25-16-18-8-3-1-4-9-18)26(22)17-19-10-5-2-6-11-19/h1-15H,16-17H2
InChi Info:
AuxInfo=1/0/N:1,26,2,6,25,27,17,3,5,24,28,16,18,14,20,7,22,4,23,15,13,11,9,19,8,10,12,21/E:(3,4)(5,6)(8,9)(10,11)/rA:28nCCCCCCCNCNCOCCCCCCNCSCCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;w8;s9;s10;d11;s11;w13;s14;s15;d16;s17;d18;d15s19;s9s13;s10;s22;s23;d24;s25;d26;d23s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H19N3OS
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:11.606
Area:594.419
Solvation:-3.25448
Coulombic:-31.672
Bond Count [?]
All:31
Single:19
Double:12
Rotors:5
Chiral:2
Rigid Segments:4
Chemical Properties
Molecular Weight:385.483
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:3.61
LogP (Chemaxon):4.73

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Descriptor Annotations

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