Chemical ID: 6152948

CN1C(=O)CC(SC1=Nc2ccc(c(c2)Cl)Cl)C(=O)Nc3ccccc3Cl
Chemical ID:
6152948
Name [?]:
N-(2-chlorophenyl)-2-(3,4-dichlorophenyl)imino-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide
SMILES [?]:
CN1C(=O)CC(SC1=Nc2ccc(c(c2)Cl)Cl)C(=O)Nc3ccccc3Cl
InChi [?]:
InChI=1/C18H14Cl3N3O2S/c1-24-16(25)9-15(17(26)23-14-5-3-2-4-12(14)20)27-18(24)22-10-6-7-11(19)13(21)8-10/h2-8,15H,9H2,1H3,(H,23,26)
InChi Info:
AuxInfo=1/1/N:1,24,23,25,22,11,12,15,5,10,13,26,14,21,6,3,18,8,17,27,16,9,20,2,4,19,7/rA:27cCNCOCCSCNCCCCCCClClCONCCCCCCCl/rB:s1;s2;d3;s3;s5;s6;s2s7;w8;s9;s10;d11;s12;d13;d10s14;s14;s13;s6;d18;s18;s20;s21;d22;s23;d24;d21s25;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H14Cl3N3O2S
All Atoms:27
Heavy Atoms:27
Chiral Atoms:1
ZAP Information [?]
Total:12.194
Area:618.951
Solvation:-3.27972
Coulombic:-43.2867
Bond Count [?]
All:29
Single:20
Double:9
Rotors:4
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:442.747
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:3.73
LogP (Chemaxon):4.78

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