Chemical ID: 5817998

c1ccc(cc1)CCN2C(=O)C(=Cc3ccc(cc3)Cl)SC2=Nc4ccccc4
Chemical ID:
5817998
Name [?]:
5-[(4-chlorophenyl)methylene]-3-phenethyl-2-phenylimino-thiazolidin-4-one
SMILES [?]:
c1ccc(cc1)CCN2C(=O)C(=Cc3ccc(cc3)Cl)SC2=Nc4ccccc4
InChi [?]:
InChI=1/C24H19ClN2OS/c25-20-13-11-19(12-14-20)17-22-23(28)27(16-15-18-7-3-1-4-8-18)24(29-22)26-21-9-5-2-6-10-21/h1-14,17H,15-16H2
InChi Info:
AuxInfo=1/0/N:1,27,2,6,26,28,3,5,25,29,15,19,16,18,7,8,13,4,14,17,24,12,10,22,20,23,9,11,21/E:(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)/rA:29nCCCCCCCCNCOCCCCCCCCClSCNCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;d10;s10;w12;s13;s14;d15;s16;d17;d14s18;s17;s12;s9s21;w22;s23;s24;d25;s26;d27;d24s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H19ClN2OS
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:12.9468
Area:603.322
Solvation:-2.13629
Coulombic:-29.025
Bond Count [?]
All:32
Single:20
Double:12
Rotors:5
Chiral:2
Rigid Segments:5
Chemical Properties
Molecular Weight:418.939
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:5.72
LogP (Chemaxon):7.14

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Descriptor Annotations

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