Chemical ID: 4169593

COc1cccc(c1)C(=O)Nc2nc3ccc(cc3s2)Cl
Chemical ID:
4169593
Name [?]:
N-(6-chlorobenzothiazol-2-yl)-3-methoxy-benzamide
SMILES [?]:
COc1cccc(c1)C(=O)Nc2nc3ccc(cc3s2)Cl
InChi [?]:
InChI=1/C15H11ClN2O2S/c1-20-11-4-2-3-9(7-11)14(19)18-15-17-12-6-5-10(16)8-13(12)21-15/h2-8H,1H3,(H,17,18,19)
InChi Info:
AuxInfo=1/1/N:1,5,6,4,16,15,8,18,7,17,3,14,19,9,12,21,13,11,10,2,20/rA:21nCOCCCCCCCONCNCCCCCCSCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;d9;s9;s11;d12;s13;s14;d15;s16;d17;d14s18;s12s19;s17;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H11ClN2O2S
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:8.90941
Area:510.882
Solvation:-3.86264
Coulombic:-34.8486
Bond Count [?]
All:23
Single:15
Double:8
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:318.779
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.44
LogP (Chemaxon):4.4

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