Chemical ID: 3850851

Cc1ccc(cc1)C(=O)CSc2nnc(n2CCCOC)c3ccc(cc3)C(C)(C)C
Chemical ID:
3850851
Name [?]:
2-[[4-(3-methoxypropyl)-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(p-tolyl)ethanone
SMILES [?]:
Cc1ccc(cc1)C(=O)CSc2nnc(n2CCCOC)c3ccc(cc3)C(C)(C)C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C25H31N3O2S
All Atoms:31
Heavy Atoms:31
Chiral Atoms:0
ZAP Information [?]
Total:13.3877
Area:710.872
Solvation:-4.3841
Coulombic:-30.9686
Bond Count [?]
All:33
Single:24
Double:9
Rotors:10
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:437.599
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:7.54
LogP (Chemaxon):5.26

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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