Chemical ID: 4261081

c1ccc(cc1)N=C2N(C(=O)C(=Cc3ccc(cc3)Br)S2)c4ccccc4
Chemical ID:
4261081
Name [?]:
5-[(4-bromophenyl)methylene]-3-phenyl-2-phenylimino-thiazolidin-4-one
SMILES [?]:
c1ccc(cc1)N=C2N(C(=O)C(=Cc3ccc(cc3)Br)S2)c4ccccc4
InChi [?]:
InChI=1/C22H15BrN2OS/c23-17-13-11-16(12-14-17)15-20-21(26)25(19-9-5-2-6-10-19)22(27-20)24-18-7-3-1-4-8-18/h1-15H
InChi Info:
AuxInfo=1/0/N:1,25,2,6,24,26,3,5,23,27,15,19,16,18,13,14,17,4,22,12,10,8,20,7,9,11,21/E:(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)/rA:27nCCCCCCNCNCOCCCCCCCCBrSCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;w7;s8;s9;d10;s10;w12;s13;s14;d15;s16;d17;d14s18;s17;s8s12;s9;s22;d23;s24;d25;d22s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H15BrN2OS
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:11.399
Area:536.908
Solvation:-2.02374
Coulombic:-27.4955
Bond Count [?]
All:30
Single:18
Double:12
Rotors:3
Chiral:2
Rigid Segments:4
Chemical Properties
Molecular Weight:435.337
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:5.6
LogP (Chemaxon):7.07

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Descriptor Annotations

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