Chemical ID: 5800051

C=CCN1C(=O)C(=Cc2ccc(cc2)Br)SC1=Nc3ccccc3
Chemical ID:
5800051
Name [?]:
3-allyl-5-[(4-bromophenyl)methylene]-2-phenylimino-thiazolidin-4-one
SMILES [?]:
C=CCN1C(=O)C(=Cc2ccc(cc2)Br)SC1=Nc3ccccc3
InChi [?]:
InChI=1/C19H15BrN2OS/c1-2-12-22-18(23)17(13-14-8-10-15(20)11-9-14)24-19(22)21-16-6-4-3-5-7-16/h2-11,13H,1,12H2
InChi Info:
AuxInfo=1/0/N:1,2,22,21,23,20,24,10,14,11,13,3,8,9,12,19,7,5,17,15,18,4,6,16/E:(4,5)(6,7)(8,9)(10,11)/rA:24nCCCNCOCCCCCCCCBrSCNCCCCCC/rB:d1;s2;s3;s4;d5;s5;w7;s8;s9;d10;s11;d12;d9s13;s12;s7;s4s16;w17;s18;s19;d20;s21;d22;d19s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H15BrN2OS
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:11.4436
Area:531.624
Solvation:-1.84698
Coulombic:-28.4039
Bond Count [?]
All:26
Single:16
Double:10
Rotors:4
Chiral:2
Rigid Segments:4
Chemical Properties
Molecular Weight:399.305
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:4.65
LogP (Chemaxon):6.13

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Descriptor Annotations

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