Chemical ID: 5701174

CCCOc1c(cc(cc1Br)C(=O)OCC(=O)NC2CCS(=O)(=O)C2)OC
Chemical ID:
5701174
Name [?]:
(1,1-dioxothiolan-3-yl)carbamoylmethyl 3-bromo-5-methoxy-4-propoxy-benzoate
SMILES [?]:
CCCOc1c(cc(cc1Br)C(=O)OCC(=O)NC2CCS(=O)(=O)C2)OC
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C17H22BrNO7S
All Atoms:27
Heavy Atoms:27
Chiral Atoms:1
ZAP Information [?]
Total:8.19285
Area:644.8
Solvation:-7.92714
Coulombic:-54.944
Bond Count [?]
All:28
Single:21
Double:7
Rotors:10
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:464.329
H-Bond Donors:1
H-Bond Acceptors:8
XLogP:2.21
LogP (Chemaxon):0.39

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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