Chemical ID: 3949875

CCOC(=O)c1ccc2c(c1)N(C(=O)C(O2)(C)C)CC#N
Chemical ID:
3949875
Name [?]:
ethyl 5-(cyanomethyl)-3,3-dimethyl-4-oxo-2-oxa-5-azabicyclo[4.4.0]deca-7,9,11-triene-8-carboxylate
SMILES [?]:
CCOC(=O)c1ccc2c(c1)N(C(=O)C(O2)(C)C)CC#N
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C15H16N2O4
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:8.51149
Area:490.324
Solvation:-3.74662
Coulombic:-47.5071
Bond Count [?]
All:22
Single:16
Double:5
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:288.299
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:1.28
LogP (Chemaxon):1.11

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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