Chemical ID: 3918389

Cc1cccn2c1nc(c2NCc3ccc4c(c3)OCO4)c5ccc(cc5)O
Chemical ID:
3918389
Name [?]:
4-[9-(benzo[1,3]dioxol-5-ylmethylamino)-5-methyl-1,7-diazabicyclo[4.3.0]nona-2,4,6,8-tetraen-8-yl]phenol
SMILES [?]:
Cc1cccn2c1nc(c2NCc3ccc4c(c3)OCO4)c5ccc(cc5)O
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C22H19N3O3
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:10.0898
Area:583.433
Solvation:-4.49599
Coulombic:-57.1256
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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