Chemical ID: 3918459

Cc1ccc2nc(c(n2c1)NCc3ccc4c(c3)OCO4)c5ccccc5O
Chemical ID:
3918459
Name [?]:
2-[7-(benzo[1,3]dioxol-5-ylmethylamino)-4-methyl-6,9-diazabicyclo[4.3.0]nona-2,4,7,9-tetraen-8-yl]phenol
SMILES [?]:
Cc1ccc2nc(c(n2c1)NCc3ccc4c(c3)OCO4)c5ccccc5O
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C22H19N3O3
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:9.69101
Area:574.981
Solvation:-4.68351
Coulombic:-56.7829
Bond Count [?]
All:32
Single:22
Double:10
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:373.405
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:4.29
LogP (Chemaxon):4.58

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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