Chemical ID: 5860364

CCOc1cc(ccc1OCC(=O)OCC)C=NNC(=O)C(C(C)C)NC(=O)c2ccc3c(c2)OCO3
Chemical ID:
5860364
Name [?]:
ethyl 2-[4-[(2-benzo[1,3]dioxol-5-ylcarbonylamino-3-methyl-butanoyl)aminoiminomethyl]-2-ethoxy-phenoxy]acetate
SMILES [?]:
CCOc1cc(ccc1OCC(=O)OCC)C=NNC(=O)C(C(C)C)NC(=O)c2ccc3c(c2)OCO3
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C26H31N3O8
All Atoms:37
Heavy Atoms:37
Chiral Atoms:1
ZAP Information [?]
Total:9.51828
Area:783.582
Solvation:-10.0713
Coulombic:-89.1868
Bond Count [?]
All:39
Single:29
Double:10
Rotors:15
Chiral:1
Rigid Segments:11
Chemical Properties
Molecular Weight:513.54
H-Bond Donors:2
H-Bond Acceptors:11
XLogP:4.21
LogP (Chemaxon):3.01

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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