Chemical ID: 3944404

CCOC(=O)c1ccc2c(c1)N(C(=O)C(O2)(C)C)CC=C
Chemical ID:
3944404
Name [?]:
ethyl 5-allyl-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=C
InChi [?]:
InChI=1/C16H19NO4/c1-5-9-17-12-10-11(14(18)20-6-2)7-8-13(12)21-16(3,4)15(17)19/h5,7-8,10H,1,6,9H2,2-4H3
InChi Info:
AuxInfo=1/0/N:21,1,17,18,20,2,7,8,19,11,6,10,9,4,13,15,12,5,14,3,16/E:(3,4)/rA:21nCCOCOCCCCCCNCOCOCCCCC/rB:s1;s2;s3;d4;s4;s6;d7;s8;d9;d6s10;s10;s12;d13;s13;s9s15;s15;s15;s12;s19;d20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H19NO4
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:9.37282
Area:489.591
Solvation:-2.86696
Coulombic:-47.1555
Bond Count [?]
All:22
Single:16
Double:6
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:289.326
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:2.4
LogP (Chemaxon):1.97

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