Chemical ID: 5544034

CCNC(=O)C1CC(=O)N(C(=Nc2ccc(cc2)C(=O)OCC)S1)CCc3ccc(c(c3)OC)OC
Chemical ID:
5544034
Name [?]:
ethyl 4-[[3-[2-(3,4-dimethoxyphenyl)ethyl]-6-(ethylcarbamoyl)-4-oxo-1,3-thiazinan-2-ylidene]amino]benzoate
SMILES [?]:
CCNC(=O)C1CC(=O)N(C(=Nc2ccc(cc2)C(=O)OCC)S1)CCc3ccc(c(c3)OC)OC
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C26H31N3O6S
All Atoms:36
Heavy Atoms:36
Chiral Atoms:1
ZAP Information [?]
Total:10.918
Area:744.743
Solvation:-7.70055
Coulombic:-75.8465
Bond Count [?]
All:38
Single:28
Double:10
Rotors:12
Chiral:1
Rigid Segments:10
Chemical Properties
Molecular Weight:513.607
H-Bond Donors:1
H-Bond Acceptors:9
XLogP:2.51
LogP (Chemaxon):3.47

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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