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Chemical ID: 7142632
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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