Chemical ID: 6168605

CCCN1C(=O)C(=Cc2ccc(cc2)Cl)SC1=Nc3ccc(cc3)C
Chemical ID:
6168605
Name [?]:
5-[(4-chlorophenyl)methylene]-3-propyl-2-(p-tolylimino)thiazolidin-4-one
SMILES [?]:
CCCN1C(=O)C(=Cc2ccc(cc2)Cl)SC1=Nc3ccc(cc3)C
InChi [?]:
InChI=1/C20H19ClN2OS/c1-3-12-23-19(24)18(13-15-6-8-16(21)9-7-15)25-20(23)22-17-10-4-14(2)5-11-17/h4-11,13H,3,12H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,25,2,21,23,10,14,11,13,20,24,3,8,22,9,12,19,7,5,17,15,18,4,6,16/E:(4,5)(6,7)(8,9)(10,11)/rA:25nCCCNCOCCCCCCCCClSCNCCCCCCC/rB:s1;s2;s3;s4;d5;s5;w7;s8;s9;d10;s11;d12;d9s13;s12;s7;s4s16;w17;s18;s19;d20;s21;d22;d19s23;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H19ClN2OS
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:12.2067
Area:558.681
Solvation:-1.76037
Coulombic:-27.3959
Bond Count [?]
All:27
Single:18
Double:9
Rotors:4
Chiral:2
Rigid Segments:4
Chemical Properties
Molecular Weight:370.896
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:5.07
LogP (Chemaxon):6.39

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Descriptor Annotations

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