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Chemical ID: 7142734
Chemical ID:
7142734
Name [?]:
3-butyl-2-butylimino-5-[[5-(2,6-dichlorophenyl)-2-furyl]methylene]thiazolidin-4-one
SMILES [?]:
CCCCN=C1N(C(=O)C(=Cc2ccc(o2)c3c(cccc3Cl)Cl)S1)CCCC
InChi [?]:
InChI=1/C22H24Cl2N2O2S/c1-3-5-12-25-22-26(13-6-4-2)21(27)19(29-22)14-15-10-11-18(28-15)20-16(23)8-7-9-17(20)24/h7-11,14H,3-6,12-13H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,29,2,28,3,27,20,19,21,13,14,4,26,11,12,18,22,15,10,17,8,6,24,23,5,7,9,16,25/E:(8,9)(16,17)(23,24)/rA:29nCCCCNCNCOCCCCCCOCCCCCCClClSCCCC/rB:s1;s2;s3;s4;w5;s6;s7;d8;s8;w10;s11;d12;s13;d14;s12s15;s15;s17;d18;s19;d20;d17s21;s22;s18;s6s10;s7;s26;s27;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H24Cl2N2O2S |
All Atoms: | 53 |
Heavy Atoms: | 29 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 13.5921 |
Area: | 679.428 |
Solvation: | -3.39363 |
Coulombic: | -32.4157 |
Bond Count [?]
All: | 31 |
Single: | 23 |
Double: | 8 |
Rotors: | 8 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 6.38 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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