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Chemical ID: 7142717
Chemical ID:
7142717
Name [?]:
3-butyl-2-butylimino-5-[(3-chlorophenyl)methylene]thiazolidin-4-one
SMILES [?]:
CCCCN=C1N(C(=O)C(=Cc2cccc(c2)Cl)S1)CCCC
InChi [?]:
InChI=1/C18H23ClN2OS/c1-3-5-10-20-18-21(11-6-4-2)17(22)16(23-18)13-14-8-7-9-15(19)12-14/h7-9,12-13H,3-6,10-11H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,23,2,22,3,21,14,13,15,4,20,17,11,12,16,10,8,6,18,5,7,9,19/rA:23nCCCCNCNCOCCCCCCCCClSCCCC/rB:s1;s2;s3;s4;w5;s6;s7;d8;s8;w10;s11;s12;d13;s14;d15;d12s16;s16;s6s10;s7;s20;s21;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H23ClN2OS |
All Atoms: | 46 |
Heavy Atoms: | 23 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 13.1497 |
Area: | 594.559 |
Solvation: | -1.71427 |
Coulombic: | -27.4888 |
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: | 5.11 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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