Chemical ID: 4488589

CCOC(=O)c1cccc(c1)NC(=O)CSc2nnc(n2C)c3cc4cccc(c4o3)OC
Chemical ID:
4488589
Name [?]:
ethyl 3-[2-[[5-(7-methoxybenzofuran-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]aminobenzoate
SMILES [?]:
CCOC(=O)c1cccc(c1)NC(=O)CSc2nnc(n2C)c3cc4cccc(c4o3)OC
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C23H22N4O5S
All Atoms:33
Heavy Atoms:33
Chiral Atoms:0
ZAP Information [?]
Total:12.0891
Area:723.301
Solvation:-5.99338
Coulombic:-68.1308
Bond Count [?]
All:36
Single:25
Double:11
Rotors:10
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:466.511
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:4.86
LogP (Chemaxon):3.28

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