Chemical ID: 5928840

CC(C)(C)CC(C)(C)Nc1c(nc2n1cc(cc2)Cl)c3ccc4c(c3)OCO4
Chemical ID:
5928840
Name [?]:
8-benzo[1,3]dioxol-5-yl-4-chloro-N-(1,1,3,3-tetramethylbutyl)-6,9-diazabicyclo[4.3.0]nona-2,4,7,9-tetraen-7-amine
SMILES [?]:
CC(C)(C)CC(C)(C)Nc1c(nc2n1cc(cc2)Cl)c3ccc4c(c3)OCO4
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C22H26ClN3O2
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:11.1508
Area:559.312
Solvation:-2.83206
Coulombic:-41.9243
Bond Count [?]
All:31
Single:24
Double:7
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:399.914
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:6.72
LogP (Chemaxon):5.61

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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