Chemical ID: 5149389

COc1ccc(cc1)N=C2NC(=O)C(=Cc3cccnc3)S2
Chemical ID:
5149389
Name [?]:
2-(4-methoxyphenyl)imino-5-(3-pyridylmethylene)thiazolidin-4-one
SMILES [?]:
COc1ccc(cc1)N=C2NC(=O)C(=Cc3cccnc3)S2
InChi [?]:
InChI=1/C16H13N3O2S/c1-21-13-6-4-12(5-7-13)18-16-19-15(20)14(22-16)9-11-3-2-8-17-10-11/h2-10H,1H3,(H,18,19,20)
InChi Info:
AuxInfo=1/1/N:1,18,17,5,7,4,8,19,15,21,16,6,3,14,12,10,20,9,11,13,2,22/E:(4,5)(6,7)/rA:22nCOCCCCCCNCNCOCCCCCCNCS/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;w9;s10;s11;d12;s12;w14;s15;s16;d17;s18;d19;d16s20;s10s14;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H13N3O2S
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:8.48038
Area:501.643
Solvation:-4.0607
Coulombic:-39.252
Bond Count [?]
All:24
Single:15
Double:9
Rotors:3
Chiral:2
Rigid Segments:4
Chemical Properties
Molecular Weight:311.359
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:1.76
LogP (Chemaxon):2.79

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