Chemical ID: 6001123

COc1ccc(c(c1)OC)C(=O)N(CC=C)CC(=O)Nc2nccs2
Chemical ID:
6001123
Name [?]:
N-allyl-2,4-dimethoxy-N-(thiazol-2-ylcarbamoylmethyl)benzamide
SMILES [?]:
COc1ccc(c(c1)OC)C(=O)N(CC=C)CC(=O)Nc2nccs2
InChi [?]:
InChI=1/C17H19N3O4S/c1-4-8-20(11-15(21)19-17-18-7-9-25-17)16(22)13-6-5-12(23-2)10-14(13)24-3/h4-7,9-10H,1,8,11H2,2-3H3,(H,18,19,21)
InChi Info:
AuxInfo=1/1/N:16,1,10,15,4,5,23,14,24,8,17,3,6,7,18,11,21,22,20,13,19,12,2,9,25/rA:25nCOCCCCCCOCCONCCCCCONCNCCS/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;s6;d11;s11;s13;s14;d15;s13;s17;d18;s18;s20;d21;s22;d23;s21s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H19N3O4S
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:7.63108
Area:577.243
Solvation:-6.8
Coulombic:-56.7375
Bond Count [?]
All:26
Single:18
Double:8
Rotors:10
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:361.417
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:1.32
LogP (Chemaxon):1.77

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