Chemical ID: 5931772

CCCCNC(=O)C1CSC(N1C(=O)C(C)C)c2ccccc2Cl
Chemical ID:
5931772
Name [?]:
N-butyl-2-(2-chlorophenyl)-3-(2-methylpropanoyl)thiazolidine-4-carboxamide
SMILES [?]:
CCCCNC(=O)C1CSC(N1C(=O)C(C)C)c2ccccc2Cl
InChi [?]:
InChI=1/C18H25ClN2O2S/c1-4-5-10-20-16(22)15-11-24-18(21(15)17(23)12(2)3)13-8-6-7-9-14(13)19/h6-9,12,15,18H,4-5,10-11H2,1-3H3,(H,20,22)
InChi Info:
AuxInfo=1/1/N:1,16,17,2,3,20,21,19,22,4,9,15,18,23,8,6,13,11,24,5,12,7,14,10/E:(2,3)/rA:24cCCCCNCOCCSCNCOCCCCCCCCCCl/rB:s1;s2;s3;s4;s5;d6;s6;s8;s9;s10;s8s11;s12;d13;s13;s15;s15;s11;s18;d19;s20;d21;d18s22;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H25ClN2O2S
All Atoms:24
Heavy Atoms:24
Chiral Atoms:2
ZAP Information [?]
Total:10.8945
Area:567.815
Solvation:-3.30093
Coulombic:-40.2631
Bond Count [?]
All:25
Single:20
Double:5
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:368.922
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.86
LogP (Chemaxon):3.8

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