Chemical ID: 6695687

CCn1c(nnc1SCC(=O)Nc2ccc(cc2)C(=O)OC)Cn3nc(nn3)c4ccccc4
Chemical ID:
6695687
Name [?]:
methyl 4-[2-[[4-ethyl-5-[(5-phenyltetrazol-2-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetyl]aminobenzoate
SMILES [?]:
CCn1c(nnc1SCC(=O)Nc2ccc(cc2)C(=O)OC)Cn3nc(nn3)c4ccccc4
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C22H22N8O3S
All Atoms:34
Heavy Atoms:34
Chiral Atoms:0
ZAP Information [?]
Total:13.4104
Area:725.729
Solvation:-4.73285
Coulombic:-57.8454
Bond Count [?]
All:37
Single:25
Double:12
Rotors:11
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:478.528
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:4.85
LogP (Chemaxon):2.45

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