Chemical ID: 7142632

CCN=C1N(C(=O)C(=Cc2ccc(o2)c3ccc(cc3)Br)S1)CC
Chemical ID:
7142632
Name [?]:
5-[[5-(4-bromophenyl)-2-furyl]methylene]-3-ethyl-2-ethylimino-thiazolidin-4-one
SMILES [?]:
CCN=C1N(C(=O)C(=Cc2ccc(o2)c3ccc(cc3)Br)S1)CC
InChi [?]:
InChI=1/C18H17BrN2O2S/c1-3-20-18-21(4-2)17(22)16(24-18)11-14-9-10-15(23-14)12-5-7-13(19)8-6-12/h5-11H,3-4H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,24,2,23,16,20,17,19,11,12,9,15,18,10,13,8,6,4,21,3,5,7,14,22/E:(5,6)(7,8)/rA:24nCCNCNCOCCCCCCOCCCCCCBrSCC/rB:s1;s2;w3;s4;s5;d6;s6;w8;s9;d10;s11;d12;s10s13;s13;s15;d16;s17;d18;d15s19;s18;s4s8;s5;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H17BrN2O2S
All Atoms:41
Heavy Atoms:24
Chiral Atoms:None
ZAP Information [?]
Total:10.6625
Area:555.056
Solvation:-3.2139
Coulombic:-30.9233
Bond Count [?]
All:26
Single:18
Double:8
Rotors:4
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:4.08
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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