Chemical ID: 5657470

CC(C(=O)c1ccccc1)Sc2nnc(n2c3ccccc3)c4ccco4
Chemical ID:
5657470
Name [?]:
2-[[5-(2-furyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-propan-1-one
SMILES [?]:
CC(C(=O)c1ccccc1)Sc2nnc(n2c3ccccc3)c4ccco4
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C21H17N3O2S
All Atoms:27
Heavy Atoms:27
Chiral Atoms:1
ZAP Information [?]
Total:11.2313
Area:579.775
Solvation:-3.26303
Coulombic:-31.0759
Bond Count [?]
All:30
Single:19
Double:11
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:375.445
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:5.68
LogP (Chemaxon):4.17

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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