Chemical ID: 4282520

c1ccc2c(c1)cccc2C(=O)Nc3ncc(s3)Cc4ccccc4Cl
Chemical ID:
4282520
Name [?]:
N-[5-[(2-chlorophenyl)methyl]thiazol-2-yl]naphthalene-1-carboxamide
SMILES [?]:
c1ccc2c(c1)cccc2C(=O)Nc3ncc(s3)Cc4ccccc4Cl
InChi [?]:
InChI=1/C21H15ClN2OS/c22-19-11-4-2-7-15(19)12-16-13-23-21(26-16)24-20(25)18-10-5-8-14-6-1-3-9-17(14)18/h1-11,13H,12H2,(H,23,24,25)
InChi Info:
AuxInfo=1/1/N:1,22,2,23,8,6,21,7,3,9,24,19,16,5,20,17,4,10,25,11,14,26,15,13,12,18/rA:26nCCCCCCCCCCCONCNCCSCCCCCCCCl/rB:s1;d2;s3;s4;d1s5;d5;s7;d8;d4s9;s10;d11;s11;s13;d14;s15;d16;s14s17;s17;s19;s20;d21;s22;d23;d20s24;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H15ClN2OS
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:11.4571
Area:574.392
Solvation:-2.90268
Coulombic:-30.2165
Bond Count [?]
All:29
Single:18
Double:11
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:378.875
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:4.83
LogP (Chemaxon):5.56

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