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Chemical ID: 7142631
Chemical ID:
7142631
Name [?]:
5-[[5-(3,4-dichlorophenyl)-2-furyl]methylene]-3-ethyl-2-ethylimino-thiazolidin-4-one
SMILES [?]:
CCN=C1N(C(=O)C(=Cc2ccc(o2)c3ccc(c(c3)Cl)Cl)S1)CC
InChi [?]:
InChI=1/C18H16Cl2N2O2S/c1-3-21-18-22(4-2)17(23)16(25-18)10-12-6-8-15(24-12)11-5-7-13(19)14(20)9-11/h5-10H,3-4H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,25,2,24,16,11,17,12,20,9,15,10,18,19,13,8,6,4,22,21,3,5,7,14,23/rA:25nCCNCNCOCCCCCCOCCCCCCClClSCC/rB:s1;s2;w3;s4;s5;d6;s6;w8;s9;d10;s11;d12;s10s13;s13;s15;d16;s17;d18;d15s19;s19;s18;s4s8;s5;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H16Cl2N2O2S |
All Atoms: | 41 |
Heavy Atoms: | 25 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 11.2228 |
Area: | 578.339 |
Solvation: | -3.23568 |
Coulombic: | -31.3032 |
Bond Count [?]
All: | 27 |
Single: | 19 |
Double: | 8 |
Rotors: | 4 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 4.53 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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Chemical Mix | Source | External ID | Descriptor | Value |
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