Chemical ID: 7142643

CCN=C1N(C(=O)C(=Cc2ccc(cc2)C(C)C)S1)CC
Chemical ID:
7142643
Name [?]:
3-ethyl-2-ethylimino-5-[(4-isopropylphenyl)methylene]thiazolidin-4-one
SMILES [?]:
CCN=C1N(C(=O)C(=Cc2ccc(cc2)C(C)C)S1)CC
InChi [?]:
InChI=1/C17H22N2OS/c1-5-18-17-19(6-2)16(20)15(21-17)11-13-7-9-14(10-8-13)12(3)4/h7-12H,5-6H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,21,17,18,2,20,11,15,12,14,9,16,10,13,8,6,4,3,5,7,19/E:(3,4)(7,8)(9,10)/rA:21nCCNCNCOCCCCCCCCCCCSCC/rB:s1;s2;w3;s4;s5;d6;s6;w8;s9;s10;d11;s12;d13;d10s14;s13;s16;s16;s4s8;s5;s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H22N2OS
All Atoms:43
Heavy Atoms:21
Chiral Atoms:None
ZAP Information [?]
Total:11.287
Area:520.218
Solvation:-1.71849
Coulombic:-26.3424
Bond Count [?]
All:22
Single:16
Double:6
Rotors:4
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:4.03
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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