Chemical ID: 5541697

CCCN1C(=O)C(=Cc2ccccc2Cl)SC1=Nc3ccccc3
Chemical ID:
5541697
Name [?]:
5-[(2-chlorophenyl)methylene]-2-phenylimino-3-propyl-thiazolidin-4-one
SMILES [?]:
CCCN1C(=O)C(=Cc2ccccc2Cl)SC1=Nc3ccccc3
InChi [?]:
InChI=1/C19H17ClN2OS/c1-2-12-22-18(23)17(13-14-8-6-7-11-16(14)20)24-19(22)21-15-9-4-3-5-10-15/h3-11,13H,2,12H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,22,21,23,11,12,10,20,24,13,3,8,9,19,14,7,5,17,15,18,4,6,16/E:(4,5)(9,10)/rA:24nCCCNCOCCCCCCCCClSCNCCCCCC/rB:s1;s2;s3;s4;d5;s5;w7;s8;s9;d10;s11;d12;d9s13;s14;s7;s4s16;w17;s18;s19;d20;s21;d22;d19s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H17ClN2OS
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:11.583
Area:530.242
Solvation:-1.67306
Coulombic:-27.8523
Bond Count [?]
All:26
Single:17
Double:9
Rotors:4
Chiral:2
Rigid Segments:4
Chemical Properties
Molecular Weight:356.87
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:4.64
LogP (Chemaxon):5.93

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue