Chemical ID: 4475173

CCn1c(nnc1SCC(=O)Nc2ccc(cc2)Oc3ccccc3)Cc4cccc5c4cccc5
Chemical ID:
4475173
Name [?]:
2-[[4-ethyl-5-(1-naphthylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-phenoxyphenyl)-acetamide
SMILES [?]:
CCn1c(nnc1SCC(=O)Nc2ccc(cc2)Oc3ccccc3)Cc4cccc5c4cccc5
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C29H26N4O2S
All Atoms:36
Heavy Atoms:36
Chiral Atoms:0
ZAP Information [?]
Total:14.1139
Area:736.581
Solvation:-4.30066
Coulombic:-42.5142
Bond Count [?]
All:40
Single:26
Double:14
Rotors:10
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:494.608
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:7.51
LogP (Chemaxon):5.91

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