Chemical ID: 6135912

CNC(=O)C1CC(=O)N(C(=Nc2ccc(cc2)Cl)S1)Cc3ccc(cc3)OC
Chemical ID:
6135912
Name [?]:
2-(4-chlorophenyl)imino-3-[(4-methoxyphenyl)methyl]-N-methyl-4-oxo-1,3-thiazinane-6-carboxamide
SMILES [?]:
CNC(=O)C1CC(=O)N(C(=Nc2ccc(cc2)Cl)S1)Cc3ccc(cc3)OC
InChi [?]:
InChI=1/C20H20ClN3O3S/c1-22-19(26)17-11-18(25)24(12-13-3-9-16(27-2)10-4-13)20(28-17)23-15-7-5-14(21)6-8-15/h3-10,17H,11-12H2,1-2H3,(H,22,26)
InChi Info:
AuxInfo=1/1/N:1,28,22,26,14,16,13,17,23,25,6,20,21,15,12,24,5,7,3,10,18,2,11,9,8,4,27,19/E:(3,4)(5,6)(7,8)(9,10)/rA:28cCNCOCCCONCNCCCCCCClSCCCCCCCOC/rB:s1;s2;d3;s3;s5;s6;d7;s7;s9;w10;s11;s12;d13;s14;d15;d12s16;s15;s5s10;s9;s20;s21;d22;s23;d24;d21s25;s24;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H20ClN3O3S
All Atoms:28
Heavy Atoms:28
Chiral Atoms:1
ZAP Information [?]
Total:10.4678
Area:608.167
Solvation:-4.73637
Coulombic:-50.2593
Bond Count [?]
All:30
Single:21
Double:9
Rotors:6
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:417.91
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:2.54
LogP (Chemaxon):3.76

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