Chemical ID: 4304217

c1ccc(cc1)CC2C(=O)NC(=Nc3ccccn3)S2
Chemical ID:
4304217
Name [?]:
5-benzyl-2-(2-pyridylimino)thiazolidin-4-one
SMILES [?]:
c1ccc(cc1)CC2C(=O)NC(=Nc3ccccn3)S2
InChi [?]:
InChI=1/C15H13N3OS/c19-14-12(10-11-6-2-1-3-7-11)20-15(18-14)17-13-8-4-5-9-16-13/h1-9,12H,10H2,(H,16,17,18,19)
InChi Info:
AuxInfo=1/1/N:1,2,6,16,17,3,5,15,18,7,4,8,14,9,12,19,13,11,10,20/E:(2,3)(6,7)/rA:20cCCCCCCCCCONCNCCCCCNS/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s9;s11;w12;s13;s14;d15;s16;d17;d14s18;s8s12;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H13N3OS
All Atoms:20
Heavy Atoms:20
Chiral Atoms:1
ZAP Information [?]
Total:9.50115
Area:469.262
Solvation:-2.2304
Coulombic:-34.2464
Bond Count [?]
All:22
Single:14
Double:8
Rotors:3
Chiral:1
Rigid Segments:3
Chemical Properties
Molecular Weight:283.349
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:2.17
LogP (Chemaxon):3.78

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