Chemical ID: 5927276

CCOc1ccc(cc1)c2c(n3cc(ccc3n2)Cl)NCC(=O)OCC
Chemical ID:
5927276
Name [?]:
ethyl 2-[[3-chloro-8-(4-ethoxyphenyl)-1,7-diazabicyclo[4.3.0]nona-2,4,6,8-tetraen-9-yl]amino]acetate
SMILES [?]:
CCOc1ccc(cc1)c2c(n3cc(ccc3n2)Cl)NCC(=O)OCC
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C19H20ClN3O3
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:10.8891
Area:599.982
Solvation:-4.11046
Coulombic:-50.3748
Bond Count [?]
All:28
Single:20
Double:8
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:373.833
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:4.08
LogP (Chemaxon):3.46

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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