Chemical ID: 4161025

CCn1cnc2c(c1=O)c(c(s2)C)c3ccc(cc3)F
Chemical ID:
4161025
Name [?]:
4-ethyl-7-(4-fluorophenyl)-8-methyl-9-thia-2,4-diazabicyclo[4.3.0]nona-2,7,10-trien-5-one
SMILES [?]:
CCn1cnc2c(c1=O)c(c(s2)C)c3ccc(cc3)F
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C15H13FN2OS
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:8.5041
Area:444.492
Solvation:-2.6082
Coulombic:-26.6578
Bond Count [?]
All:22
Single:15
Double:7
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:288.341
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:2.48
LogP (Chemaxon):3.13

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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