Chemical ID: 4775026

c1cc(ccc1C(=O)CSc2nnc(n2c3ccc(cc3)Cl)C4CC4)Cl
Chemical ID:
4775026
Name [?]:
1-(4-chlorophenyl)-2-[[4-(4-chlorophenyl)-5-cyclopropyl-1,2,4-triazol-3-yl]sulfanyl]ethanone
SMILES [?]:
c1cc(ccc1C(=O)CSc2nnc(n2c3ccc(cc3)Cl)C4CC4)Cl
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C19H15Cl2N3OS
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:13.0214
Area:629.777
Solvation:-2.72299
Coulombic:-21.8965
Bond Count [?]
All:29
Single:20
Double:9
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:404.313
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:6.42
LogP (Chemaxon):4.4

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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