Chemical ID: 7140019

Cc1ccc(cc1)C=C2C(=O)NC(=Nc3ccc(cc3)Br)S2
Chemical ID:
7140019
Name [?]:
2-(4-bromophenyl)imino-5-(p-tolylmethylene)thiazolidin-4-one
SMILES [?]:
Cc1ccc(cc1)C=C2C(=O)NC(=Nc3ccc(cc3)Br)S2
InChi [?]:
InChI=1/C17H13BrN2OS/c1-11-2-4-12(5-3-11)10-15-16(21)20-17(22-15)19-14-8-6-13(18)7-9-14/h2-10H,1H3,(H,19,20,21)
InChi Info:
AuxInfo=1/1/N:1,3,7,4,6,17,19,16,20,8,2,5,18,15,9,10,13,21,14,12,11,22/E:(2,3)(4,5)(6,7)(8,9)/rA:22nCCCCCCCCCCONCNCCCCCCBrS/rB:s1;s2;d3;s4;d5;d2s6;s5;w8;s9;d10;s10;s12;w13;s14;s15;d16;s17;d18;d15s19;s18;s9s13;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H13BrN2OS
All Atoms:35
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:11.1533
Area:517.757
Solvation:-1.79064
Coulombic:-30.3303
Bond Count [?]
All:24
Single:15
Double:9
Rotors:2
Chiral:2
Rigid Segments:3
Chemical Properties
Molecular Weight:373.268
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.33
LogP (Chemaxon):5.61

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