Chemical ID: 4088082

c1ccc(cc1)C=C2C(=O)NC(=Nc3ccccc3)S2
Chemical ID:
4088082
Name [?]:
5-benzylidene-2-phenylimino-thiazolidin-4-one
SMILES [?]:
c1ccc(cc1)C=C2C(=O)NC(=Nc3ccccc3)S2
InChi [?]:
InChI=1/C16H12N2OS/c19-15-14(11-12-7-3-1-4-8-12)20-16(18-15)17-13-9-5-2-6-10-13/h1-11H,(H,17,18,19)
InChi Info:
AuxInfo=1/1/N:1,17,2,6,16,18,3,5,15,19,7,4,14,8,9,12,13,11,10,20/E:(3,4)(5,6)(7,8)(9,10)/rA:20nCCCCCCCCCONCNCCCCCCS/rB:s1;d2;s3;d4;d1s5;s4;w7;s8;d9;s9;s11;w12;s13;s14;d15;s16;d17;d14s18;s8s12;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H12N2OS
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:9.75657
Area:465.991
Solvation:-1.89321
Coulombic:-30.6634
Bond Count [?]
All:22
Single:13
Double:9
Rotors:2
Chiral:2
Rigid Segments:3
Chemical Properties
Molecular Weight:280.345
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.09
LogP (Chemaxon):4.35

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