Chemical ID: 7074128

c1cc(cc(c1)Cl)C=NNc2nc(cs2)c3cccc(c3)S(=O)(=O)N4CCOCC4
Chemical ID:
7074128
Name [?]:
N-[(3-chlorophenyl)methyleneamino]-4-(3-morpholinosulfonylphenyl)-thiazol-2-amine
SMILES [?]:
c1cc(cc(c1)Cl)C=NNc2nc(cs2)c3cccc(c3)S(=O)(=O)N4CCOCC4
InChi [?]:
InChI=1/C20H19ClN4O3S2/c21-17-5-1-3-15(11-17)13-22-24-20-23-19(14-29-20)16-4-2-6-18(12-16)30(26,27)25-7-9-28-10-8-25/h1-6,11-14H,7-10H2,(H,23,24)
InChi Info:
AuxInfo=1/1/N:1,18,2,17,6,19,26,30,27,29,4,21,8,14,3,16,5,20,13,11,7,9,12,10,25,23,24,28,15,22/E:(7,8)(9,10)(26,27)/CRV:30.6/rA:30nCCCCCCClCNNCNCCSCCCCCCSOONCCOCC/rB:s1;d2;s3;d4;d1s5;s5;s3;w8;s9;s10;d11;s12;d13;s11s14;s13;s16;d17;s18;d19;d16s20;s20;d22;d22;s22;s25;s26;s27;s28;s25s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H19ClN4O3S2
All Atoms:49
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:12.4604
Area:679.874
Solvation:-4.53642
Coulombic:-33.1886
Bond Count [?]
All:33
Single:22
Double:11
Rotors:6
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:462.975
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:4.49
LogP (Chemaxon):4.45

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