Chemical ID: 4502375

CCn1c(nnc1SCC(=O)c2ccccc2)CCCOc3ccc(cc3Cl)Cl
Chemical ID:
4502375
Name [?]:
2-[[5-[3-(2,4-dichlorophenoxy)propyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanone
SMILES [?]:
CCn1c(nnc1SCC(=O)c2ccccc2)CCCOc3ccc(cc3Cl)Cl
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C21H21Cl2N3O2S
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:13.1581
Area:705.035
Solvation:-4.46779
Coulombic:-28.9357
Bond Count [?]
All:31
Single:22
Double:9
Rotors:10
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:450.382
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:6.98
LogP (Chemaxon):4.58

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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