Chemical ID: 4463866

CCn1c(nnc1SCC(=O)Nc2ccc(c(c2C)C)Br)C(C)Oc3ccccc3
Chemical ID:
4463866
Name [?]:
N-(4-bromo-2,3-dimethyl-phenyl)-2-[[4-ethyl-5-(1-phenoxyethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
SMILES [?]:
CCn1c(nnc1SCC(=O)Nc2ccc(c(c2C)C)Br)C(C)Oc3ccccc3
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C22H25BrN4O2S
All Atoms:30
Heavy Atoms:30
Chiral Atoms:1
ZAP Information [?]
Total:12.9519
Area:679.026
Solvation:-4.02371
Coulombic:-41.7018
Bond Count [?]
All:32
Single:23
Double:9
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:489.43
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:6.41
LogP (Chemaxon):4.75

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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