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Chemical ID: 7142723
Chemical ID:
7142723
Name [?]:
3-butyl-2-butylimino-5-[(4-hydroxy-3-methoxy-phenyl)methylene]thiazolidin-4-one
SMILES [?]:
CCCCN=C1N(C(=O)C(=Cc2ccc(c(c2)OC)O)S1)CCCC
InChi [?]:
InChI=1/C19H26N2O3S/c1-4-6-10-20-19-21(11-7-5-2)18(23)17(25-19)13-14-8-9-15(22)16(12-14)24-3/h8-9,12-13,22H,4-7,10-11H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,25,19,2,24,3,23,13,14,4,22,17,11,12,15,16,10,8,6,5,7,20,9,18,21/rA:25nCCCCNCNCOCCCCCCCCOCOSCCCC/rB:s1;s2;s3;s4;w5;s6;s7;d8;s8;w10;s11;s12;d13;s14;d15;d12s16;s16;s18;s15;s6s10;s7;s22;s23;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H26N2O3S |
All Atoms: | 51 |
Heavy Atoms: | 25 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 10.9785 |
Area: | 612.0 |
Solvation: | -4.32152 |
Coulombic: | -48.918 |
Bond Count [?]
All: | 26 |
Single: | 20 |
Double: | 6 |
Rotors: | 8 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 3.99 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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