Chemical ID: 7142663

CCc1ccc(cc1)C=C2C(=O)N(C(=NCC)S2)CC
Chemical ID:
7142663
Name [?]:
3-ethyl-2-ethylimino-5-[(4-ethylphenyl)methylene]thiazolidin-4-one
SMILES [?]:
CCc1ccc(cc1)C=C2C(=O)N(C(=NCC)S2)CC
InChi [?]:
InChI=1/C16H20N2OS/c1-4-12-7-9-13(10-8-12)11-14-15(19)18(6-3)16(20-14)17-5-2/h7-11H,4-6H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,17,20,2,16,19,4,8,5,7,9,3,6,10,11,14,15,13,12,18/E:(7,8)(9,10)/rA:20nCCCCCCCCCCCONCNCCSCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;w9;s10;d11;s11;s13;w14;s15;s16;s10s14;s13;s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H20N2OS
All Atoms:40
Heavy Atoms:20
Chiral Atoms:None
ZAP Information [?]
Total:10.7802
Area:500.469
Solvation:-1.73147
Coulombic:-26.0506
Bond Count [?]
All:21
Single:15
Double:6
Rotors:4
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:3.53
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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