Chemical ID: 4850486

CCN1C(=O)CC(SC1=Nc2ccc(cc2)I)C(=O)Nc3cccc(c3)C
Chemical ID:
4850486
Name [?]:
3-ethyl-2-(4-iodophenyl)imino-N-(m-tolyl)-4-oxo-1,3-thiazinane-6-carboxamide
SMILES [?]:
CCN1C(=O)CC(SC1=Nc2ccc(cc2)I)C(=O)Nc3cccc(c3)C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C20H20IN3O2S
All Atoms:27
Heavy Atoms:27
Chiral Atoms:1
ZAP Information [?]
Total:12.1309
Area:619.541
Solvation:-3.35767
Coulombic:-42.4394
Bond Count [?]
All:29
Single:20
Double:9
Rotors:5
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:493.362
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:3.79
LogP (Chemaxon):5.67

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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