Chemical ID: 4845997

CCN=C1N(C(=O)CC(S1)C(=O)Nc2ccc(cc2)C(=O)OC)CC
Chemical ID:
4845997
Name [?]:
methyl 4-[(3-ethyl-2-ethylimino-4-oxo-1,3-thiazinan-6-yl)carbonylamino]benzoate
SMILES [?]:
CCN=C1N(C(=O)CC(S1)C(=O)Nc2ccc(cc2)C(=O)OC)CC
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C17H21N3O4S
All Atoms:25
Heavy Atoms:25
Chiral Atoms:1
ZAP Information [?]
Total:10.1781
Area:581.761
Solvation:-4.36591
Coulombic:-60.4476
Bond Count [?]
All:26
Single:19
Double:7
Rotors:7
Chiral:1
Rigid Segments:7
Chemical Properties
Molecular Weight:363.432
H-Bond Donors:1
H-Bond Acceptors:7
XLogP:1.19
LogP (Chemaxon):2.0

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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