Chemical ID: 4648868

c1ccc(cc1)N=C2N(C(=O)C(=Cc3c(cccc3Cl)F)S2)C4CCCC4
Chemical ID:
4648868
Name [?]:
5-[(2-chloro-6-fluoro-phenyl)methylene]-3-cyclopentyl-2-phenylimino-thiazolidin-4-one
SMILES [?]:
c1ccc(cc1)N=C2N(C(=O)C(=Cc3c(cccc3Cl)F)S2)C4CCCC4
InChi [?]:
InChI=1/C21H18ClFN2OS/c22-17-11-6-12-18(23)16(17)13-19-20(26)25(15-9-4-5-10-15)21(27-19)24-14-7-2-1-3-8-14/h1-3,6-8,11-13,15H,4-5,9-10H2
InChi Info:
AuxInfo=1/0/N:1,2,6,25,26,17,3,5,24,27,18,16,13,4,23,14,19,15,12,10,8,20,21,7,9,11,22/E:(2,3)(4,5)(7,8)(9,10)/rA:27nCCCCCCNCNCOCCCCCCCCClFSCCCCC/rB:s1;d2;s3;d4;d1s5;s4;w7;s8;s9;d10;s10;w12;s13;s14;d15;s16;d17;d14s18;s19;s15;s8s12;s9;s23;s24;s25;s23s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H18ClFN2OS
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:11.153
Area:544.862
Solvation:-2.46851
Coulombic:-30.6053
Bond Count [?]
All:30
Single:21
Double:9
Rotors:3
Chiral:2
Rigid Segments:4
Chemical Properties
Molecular Weight:400.898
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:5.28
LogP (Chemaxon):6.44

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