Chemical ID: 6897854

CC(C(=O)C)n1cnc2c(c1=O)c(cs2)c3ccc(cc3)F
Chemical ID:
6897854
Name [?]:
7-(4-fluorophenyl)-4-(1-methyl-2-oxo-propyl)-9-thia-2,4-diazabicyclo[4.3.0]nona-2,7,10-trien-5-one
SMILES [?]:
CC(C(=O)C)n1cnc2c(c1=O)c(cs2)c3ccc(cc3)F
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C16H13FN2O2S
All Atoms:35
Heavy Atoms:22
Chiral Atoms:1
ZAP Information [?]
Total:8.06862
Area:475.601
Solvation:-3.82141
Coulombic:-33.1971
Bond Count [?]
All:24
Single:16
Double:8
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:316.351
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:2.38
LogP (Chemaxon):3.41

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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