Chemical ID: 4850276

COc1ccc(cc1)CCN2C(=O)CC(SC2=Nc3ccc(cc3)F)C(=O)N
Chemical ID:
4850276
Name [?]:
2-(4-fluorophenyl)imino-3-[2-(4-methoxyphenyl)ethyl]-4-oxo-1,3-thiazinane-6-carboxamide
SMILES [?]:
COc1ccc(cc1)CCN2C(=O)CC(SC2=Nc3ccc(cc3)F)C(=O)N
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C20H20FN3O3S
All Atoms:28
Heavy Atoms:28
Chiral Atoms:1
ZAP Information [?]
Total:8.56388
Area:578.529
Solvation:-5.89934
Coulombic:-57.1003
Bond Count [?]
All:30
Single:21
Double:9
Rotors:6
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:401.456
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:1.72
LogP (Chemaxon):3.38

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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