Chemical ID: 5927249

CCOC(=O)CNc1c(nc2n1cccc2)c3ccc(cc3)C(C)(C)C
Chemical ID:
5927249
Name [?]:
ethyl 2-[[8-(4-tert-butylphenyl)-6,9-diazabicyclo[4.3.0]nona-2,4,7,9-tetraen-7-yl]amino]acetate
SMILES [?]:
CCOC(=O)CNc1c(nc2n1cccc2)c3ccc(cc3)C(C)(C)C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C21H25N3O2
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:11.5526
Area:585.633
Solvation:-3.08824
Coulombic:-44.211
Bond Count [?]
All:28
Single:20
Double:8
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:351.442
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:5.02
LogP (Chemaxon):4.48

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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