Chemical ID: 7140777

CCc1ccc(cc1)N=C2NC(=O)C(=Cc3ccc(o3)Br)S2
Chemical ID:
7140777
Name [?]:
5-[(5-bromo-2-furyl)methylene]-2-(4-ethylphenyl)imino-thiazolidin-4-one
SMILES [?]:
CCc1ccc(cc1)N=C2NC(=O)C(=Cc3ccc(o3)Br)S2
InChi [?]:
InChI=1/C16H13BrN2O2S/c1-2-10-3-5-11(6-4-10)18-16-19-15(20)13(22-16)9-12-7-8-14(17)21-12/h3-9H,2H2,1H3,(H,18,19,20)
InChi Info:
AuxInfo=1/1/N:1,2,4,8,5,7,17,18,15,3,6,16,14,19,12,10,21,9,11,13,20,22/E:(3,4)(5,6)/rA:22nCCCCCCCCNCNCOCCCCCCOBrS/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;w9;s10;s11;d12;s12;w14;s15;d16;s17;d18;s16s19;s19;s10s14;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H13BrN2O2S
All Atoms:35
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:9.71354
Area:517.016
Solvation:-3.21187
Coulombic:-34.7226
Bond Count [?]
All:24
Single:16
Double:8
Rotors:3
Chiral:2
Rigid Segments:4
Chemical Properties
Molecular Weight:377.257
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.5
LogP (Chemaxon):4.6

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