Chemical ID: 5927251

CCOc1ccc(cc1)c2c(n3c(cccc3n2)C)NCC(=O)OCC
Chemical ID:
5927251
Name [?]:
ethyl 2-[[8-(4-ethoxyphenyl)-2-methyl-1,7-diazabicyclo[4.3.0]nona-2,4,6,8-tetraen-9-yl]amino]acetate
SMILES [?]:
CCOc1ccc(cc1)c2c(n3c(cccc3n2)C)NCC(=O)OCC
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C20H23N3O3
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:10.3455
Area:584.897
Solvation:-4.27689
Coulombic:-49.7949
Bond Count [?]
All:28
Single:20
Double:8
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:353.415
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.78
LogP (Chemaxon):2.96

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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