Chemical ID: 3873771

c1cc(c(cc1O)O)c2c(n3cc(ccc3n2)Br)NCC4CCCO4
Chemical ID:
3873771
Name [?]:
4-[3-bromo-9-(tetrahydrofuran-2-ylmethylamino)-1,7-diazabicyclo[4.3.0]nona-2,4,6,8-tetraen-8-yl]benzene-1,3-diol
SMILES [?]:
c1cc(c(cc1O)O)c2c(n3cc(ccc3n2)Br)NCC4CCCO4
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C18H18BrN3O3
All Atoms:25
Heavy Atoms:25
Chiral Atoms:1
ZAP Information [?]
Total:8.31816
Area:545.089
Solvation:-5.30906
Coulombic:-62.2447
Bond Count [?]
All:28
Single:21
Double:7
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:404.258
H-Bond Donors:3
H-Bond Acceptors:4
XLogP:3.34
LogP (Chemaxon):3.39

Name Annotations

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Descriptor Annotations

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