Chemical ID: 6606620

CCCCN1C(=O)C(=Cc2ccc(cc2)Br)SC1=Nc3ccccc3
Chemical ID:
6606620
Name [?]:
5-[(4-bromophenyl)methylene]-3-butyl-2-phenylimino-thiazolidin-4-one
SMILES [?]:
CCCCN1C(=O)C(=Cc2ccc(cc2)Br)SC1=Nc3ccccc3
InChi [?]:
InChI=1/C20H19BrN2OS/c1-2-3-13-23-19(24)18(14-15-9-11-16(21)12-10-15)25-20(23)22-17-7-5-4-6-8-17/h4-12,14H,2-3,13H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,3,23,22,24,21,25,11,15,12,14,4,9,10,13,20,8,6,18,16,19,5,7,17/E:(5,6)(7,8)(9,10)(11,12)/rA:25nCCCCNCOCCCCCCCCBrSCNCCCCCC/rB:s1;s2;s3;s4;s5;d6;s6;w8;s9;s10;d11;s12;d13;d10s14;s13;s8;s5s17;w18;s19;s20;d21;s22;d23;d20s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H19BrN2OS
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:12.1277
Area:554.453
Solvation:-1.73364
Coulombic:-27.6329
Bond Count [?]
All:27
Single:18
Double:9
Rotors:5
Chiral:2
Rigid Segments:5
Chemical Properties
Molecular Weight:415.348
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:5.38
LogP (Chemaxon):6.6

Name Annotations

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Descriptor Annotations

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