Chemical ID: 5542203

COc1ccc(cc1)CN2C(=O)CC(SC2=Nc3ccc(cc3)F)C(=O)Nc4cccc(c4)Cl
Chemical ID:
5542203
Name [?]:
N-(3-chlorophenyl)-2-(4-fluorophenyl)imino-3-[(4-methoxyphenyl)methyl]-4-oxo-1,3-thiazinane-6-carboxamide
SMILES [?]:
COc1ccc(cc1)CN2C(=O)CC(SC2=Nc3ccc(cc3)F)C(=O)Nc4cccc(c4)Cl
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C25H21ClFN3O3S
All Atoms:34
Heavy Atoms:34
Chiral Atoms:1
ZAP Information [?]
Total:11.5562
Area:699.227
Solvation:-5.92443
Coulombic:-53.6606
Bond Count [?]
All:37
Single:25
Double:12
Rotors:7
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:497.97
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:4.27
LogP (Chemaxon):6.06

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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