Chemical ID: 5552897

CCN1C(=O)CC(SC1=Nc2ccc3c(c2)OCO3)C(=O)Nc4ccc(cc4)Br
Chemical ID:
5552897
Name [?]:
2-benzo[1,3]dioxol-5-ylimino-N-(4-bromophenyl)-3-ethyl-4-oxo-1,3-thiazinane-6-carboxamide
SMILES [?]:
CCN1C(=O)CC(SC1=Nc2ccc3c(c2)OCO3)C(=O)Nc4ccc(cc4)Br
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C20H18BrN3O4S
All Atoms:29
Heavy Atoms:29
Chiral Atoms:1
ZAP Information [?]
Total:10.6068
Area:620.465
Solvation:-4.90486
Coulombic:-57.1542
Bond Count [?]
All:32
Single:23
Double:9
Rotors:5
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:476.345
H-Bond Donors:1
H-Bond Acceptors:7
XLogP:2.84
LogP (Chemaxon):4.69

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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