Chemical ID: 3988095

c1ccc(cc1)CC(c2nc(cs2)C(=O)NCc3ccc(cc3)Cl)N
Chemical ID:
3988095
Name [?]:
2-(1-amino-2-phenyl-ethyl)-N-[(4-chlorophenyl)methyl]thiazole-4-carboxamide
SMILES [?]:
c1ccc(cc1)CC(c2nc(cs2)C(=O)NCc3ccc(cc3)Cl)N
InChi [?]:
InChI=1/C19H18ClN3OS/c20-15-8-6-14(7-9-15)11-22-18(24)17-12-25-19(23-17)16(21)10-13-4-2-1-3-5-13/h1-9,12,16H,10-11,21H2,(H,22,24)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,19,23,20,22,7,17,12,4,18,21,8,11,14,9,24,25,16,10,15,13/E:(2,3)(4,5)(6,7)(8,9)/rA:25cCCCCCCCCCNCCSCONCCCCCCCClN/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s10;d11;s9s12;s11;d14;s14;s16;s17;s18;d19;s20;d21;d18s22;s21;s8;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H18ClN3OS
All Atoms:25
Heavy Atoms:25
Chiral Atoms:1
ZAP Information [?]
Total:13.0445
Area:610.638
Solvation:-2.22144
Coulombic:-44.3085
Bond Count [?]
All:27
Single:18
Double:9
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:371.885
H-Bond Donors:3
H-Bond Acceptors:3
XLogP:3.38
LogP (Chemaxon):3.59

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