Chemical ID: 6873169

CC(C)COC(=O)Cn1cnc2c(c1=O)c(cs2)c3ccc(cc3)F
Chemical ID:
6873169
Name [?]:
isobutyl 2-[7-(4-fluorophenyl)-5-oxo-9-thia-2,4-diazabicyclo[4.3.0]nona-2,7,10-trien-4-yl]acetate
SMILES [?]:
CC(C)COC(=O)Cn1cnc2c(c1=O)c(cs2)c3ccc(cc3)F
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C18H17FN2O3S
All Atoms:42
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:9.85532
Area:550.72
Solvation:-3.91268
Coulombic:-45.4538
Bond Count [?]
All:27
Single:19
Double:8
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:360.404
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:2.99
LogP (Chemaxon):3.57

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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