Chemical ID: 7141074

CCc1ccc(cc1)N=C2NC(=O)C(=Cc3ccc(cc3)Br)S2
Chemical ID:
7141074
Name [?]:
5-[(4-bromophenyl)methylene]-2-(4-ethylphenyl)imino-thiazolidin-4-one
SMILES [?]:
CCc1ccc(cc1)N=C2NC(=O)C(=Cc3ccc(cc3)Br)S2
InChi [?]:
InChI=1/C18H15BrN2OS/c1-2-12-5-9-15(10-6-12)20-18-21-17(22)16(23-18)11-13-3-7-14(19)8-4-13/h3-11H,2H2,1H3,(H,20,21,22)
InChi Info:
AuxInfo=1/1/N:1,2,17,21,4,8,18,20,5,7,15,3,16,19,6,14,12,10,22,9,11,13,23/E:(3,4)(5,6)(7,8)(9,10)/rA:23nCCCCCCCCNCNCOCCCCCCCCBrS/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;w9;s10;s11;d12;s12;w14;s15;s16;d17;s18;d19;d16s20;s19;s10s14;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H15BrN2OS
All Atoms:38
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:11.8082
Area:543.375
Solvation:-1.77621
Coulombic:-30.7963
Bond Count [?]
All:25
Single:16
Double:9
Rotors:3
Chiral:2
Rigid Segments:4
Chemical Properties
Molecular Weight:387.295
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.79
LogP (Chemaxon):6.01

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