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Chemical ID: 7142731
Chemical ID:
7142731
Name [?]:
3-butyl-2-butylimino-5-[(4-ethylphenyl)methylene]thiazolidin-4-one
SMILES [?]:
CCCCN=C1N(C(=O)C(=Cc2ccc(cc2)CC)S1)CCCC
InChi [?]:
InChI=1/C20H28N2OS/c1-4-7-13-21-20-22(14-8-5-2)19(23)18(24-20)15-17-11-9-16(6-3)10-12-17/h9-12,15H,4-8,13-14H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,24,19,2,23,18,3,22,14,16,13,17,4,21,11,15,12,10,8,6,5,7,9,20/E:(9,10)(11,12)/rA:24nCCCCNCNCOCCCCCCCCCCSCCCC/rB:s1;s2;s3;s4;w5;s6;s7;d8;s8;w10;s11;s12;d13;s14;d15;d12s16;s15;s18;s6s10;s7;s21;s22;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H28N2OS |
All Atoms: | 52 |
Heavy Atoms: | 24 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 13.4448 |
Area: | 605.69 |
Solvation: | -1.69748 |
Coulombic: | -27.5348 |
Bond Count [?]
All: | 25 |
Single: | 19 |
Double: | 6 |
Rotors: | 8 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 5.39 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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