Chemical ID: 6153196

CCN1C(=O)CC(SC1=Nc2ccc(cc2)I)C(=O)Nc3ccc(cc3)Cl
Chemical ID:
6153196
Name [?]:
N-(4-chlorophenyl)-3-ethyl-2-(4-iodophenyl)imino-4-oxo-1,3-thiazinane-6-carboxamide
SMILES [?]:
CCN1C(=O)CC(SC1=Nc2ccc(cc2)I)C(=O)Nc3ccc(cc3)Cl
InChi [?]:
InChI=1/C19H17ClIN3O2S/c1-2-24-17(25)11-16(18(26)22-14-7-3-12(20)4-8-14)27-19(24)23-15-9-5-13(21)6-10-15/h3-10,16H,2,11H2,1H3,(H,22,26)
InChi Info:
AuxInfo=1/1/N:1,2,23,25,13,15,22,26,12,16,6,24,14,21,11,7,4,18,9,27,17,20,10,3,5,19,8/E:(3,4)(5,6)(7,8)(9,10)/rA:27cCCNCOCCSCNCCCCCCICONCCCCCCCl/rB:s1;s2;s3;d4;s4;s6;s7;s3s8;w9;s10;s11;d12;s13;d14;d11s15;s14;s7;d18;s18;s20;s21;d22;s23;d24;d21s25;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H17ClIN3O2S
All Atoms:27
Heavy Atoms:27
Chiral Atoms:1
ZAP Information [?]
Total:12.4656
Area:632.126
Solvation:-3.33753
Coulombic:-42.681
Bond Count [?]
All:29
Single:20
Double:9
Rotors:5
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:513.78
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:3.97
LogP (Chemaxon):5.73

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