Chemical ID: 7141377

CCc1ccc(cc1)N=C2NC(=O)C(=Cc3cccnc3)S2
Chemical ID:
7141377
Name [?]:
2-(4-ethylphenyl)imino-5-(3-pyridylmethylene)thiazolidin-4-one
SMILES [?]:
CCc1ccc(cc1)N=C2NC(=O)C(=Cc3cccnc3)S2
InChi [?]:
InChI=1/C17H15N3OS/c1-2-12-5-7-14(8-6-12)19-17-20-16(21)15(22-17)10-13-4-3-9-18-11-13/h3-11H,2H2,1H3,(H,19,20,21)
InChi Info:
AuxInfo=1/1/N:1,2,18,17,4,8,5,7,19,15,21,3,16,6,14,12,10,20,9,11,13,22/E:(5,6)(7,8)/rA:22nCCCCCCCCNCNCOCCCCCCNCS/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:C17H15N3OS
All Atoms:37
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:10.237
Area:507.979
Solvation:-2.46246
Coulombic:-33.7691
Bond Count [?]
All:24
Single:15
Double:9
Rotors:3
Chiral:2
Rigid Segments:4
Chemical Properties
Molecular Weight:309.387
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:2.74
LogP (Chemaxon):3.9

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Descriptor Annotations

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