Chemical ID: 4161034

Cc1c(c2c(s1)ncn(c2=O)CC(=O)Nc3ccc(cc3)OC)c4ccc(cc4)F
Chemical ID:
4161034
Name [?]:
2-[9-(4-fluorophenyl)-8-methyl-2-oxo-7-thia-3,5-diazabicyclo[4.3.0]nona-4,8,10-trien-3-yl]-N-(4-methoxyphenyl)-acetamide
SMILES [?]:
Cc1c(c2c(s1)ncn(c2=O)CC(=O)Nc3ccc(cc3)OC)c4ccc(cc4)F
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C22H18FN3O3S
All Atoms:30
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:9.6572
Area:617.796
Solvation:-5.78769
Coulombic:-53.0218
Bond Count [?]
All:33
Single:22
Double:11
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:423.461
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:2.71
LogP (Chemaxon):3.61

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue