Chemical ID: 7142630

CCN=C1N(C(=O)C(=Cc2ccc(o2)c3cc(ccc3Cl)Cl)S1)CC
Chemical ID:
7142630
Name [?]:
5-[[5-(2,5-dichlorophenyl)-2-furyl]methylene]-3-ethyl-2-ethylimino-thiazolidin-4-one
SMILES [?]:
CCN=C1N(C(=O)C(=Cc2ccc(o2)c3cc(ccc3Cl)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)13-9-11(19)5-7-14(13)20/h5-10H,3-4H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,25,2,24,18,11,19,12,16,9,17,10,15,20,13,8,6,4,22,21,3,5,7,14,23/rA:25nCCNCNCOCCCCCCOCCCCCCClClSCC/rB:s1;s2;w3;s4;s5;d6;s6;w8;s9;d10;s11;d12;s10s13;s13;s15;d16;s17;d18;d15s19;s20;s17;s4s8;s5;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H16Cl2N2O2S
All Atoms:41
Heavy Atoms:25
Chiral Atoms:None
ZAP Information [?]
Total:10.9644
Area:575.634
Solvation:-3.42649
Coulombic:-30.5266
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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