Chemical ID: 4465535

CCn1c(nnc1SCC(=O)Nc2cccc(c2)Cl)COc3ccc(cc3)C(C)C
Chemical ID:
4465535
Name [?]:
N-(3-chlorophenyl)-2-[[4-ethyl-5-[(4-isopropylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide
SMILES [?]:
CCn1c(nnc1SCC(=O)Nc2cccc(c2)Cl)COc3ccc(cc3)C(C)C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C22H25ClN4O2S
All Atoms:30
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:13.3514
Area:704.891
Solvation:-4.27082
Coulombic:-41.8073
Bond Count [?]
All:32
Single:23
Double:9
Rotors:10
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:444.978
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:6.66
LogP (Chemaxon):4.84

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