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Chemical ID: 7142673
Chemical ID:
7142673
Name [?]:
3-butyl-2-butylimino-5-(p-tolylmethylene)thiazolidin-4-one
SMILES [?]:
CCCCN=C1N(C(=O)C(=Cc2ccc(cc2)C)S1)CCCC
InChi [?]:
InChI=1/C19H26N2OS/c1-4-6-12-20-19-21(13-7-5-2)18(22)17(23-19)14-16-10-8-15(3)9-11-16/h8-11,14H,4-7,12-13H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,23,18,2,22,3,21,14,16,13,17,4,20,11,15,12,10,8,6,5,7,9,19/E:(8,9)(10,11)/rA:23nCCCCNCNCOCCCCCCCCCSCCCC/rB:s1;s2;s3;s4;w5;s6;s7;d8;s8;w10;s11;s12;d13;s14;d15;d12s16;s15;s6s10;s7;s20;s21;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H26N2OS |
All Atoms: | 49 |
Heavy Atoms: | 23 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 12.83 |
Area: | 581.3 |
Solvation: | -1.7025 |
Coulombic: | -27.1783 |
Bond Count [?]
All: | 24 |
Single: | 18 |
Double: | 6 |
Rotors: | 7 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 4.92 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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