Chemical ID: 4851029

CCN1C(=O)CC(SC1=Nc2ccc(cc2)OCC)C(=O)Nc3cccc(c3)C(=O)O
Chemical ID:
4851029
Name [?]:
3-[[2-(4-ethoxyphenyl)imino-3-ethyl-4-oxo-1,3-thiazinan-6-yl]carbonylamino]benzoic acid
SMILES [?]:
CCN1C(=O)CC(SC1=Nc2ccc(cc2)OCC)C(=O)Nc3cccc(c3)C(=O)O
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C22H23N3O5S
All Atoms:31
Heavy Atoms:31
Chiral Atoms:1
ZAP Information [?]
Total:11.0239
Area:666.433
Solvation:-5.63697
Coulombic:-75.7272
Bond Count [?]
All:33
Single:23
Double:10
Rotors:8
Chiral:1
Rigid Segments:7
Chemical Properties
Molecular Weight:441.501
H-Bond Donors:2
H-Bond Acceptors:8
XLogP:2.24
LogP (Chemaxon):2.94

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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