Chemical ID: 5930710

Cc1cccn2c1nc(c2NC(C)(C)CC(C)(C)C)c3cccc(c3)OC(=O)c4ccc(cc4)F
Chemical ID:
5930710
Name [?]:
[3-[5-methyl-9-(1,1,3,3-tetramethylbutylamino)-1,7-diazabicyclo[4.3.0]nona-2,4,6,8-tetraen-8-yl]phenyl] 4-fluorobenzoate
SMILES [?]:
Cc1cccn2c1nc(c2NC(C)(C)CC(C)(C)C)c3cccc(c3)OC(=O)c4ccc(cc4)F
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C29H32FN3O2
All Atoms:35
Heavy Atoms:35
Chiral Atoms:0
ZAP Information [?]
Total:13.7356
Area:676.726
Solvation:-3.18255
Coulombic:-50.0825
Bond Count [?]
All:38
Single:27
Double:11
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:473.582
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:8.23
LogP (Chemaxon):7.24

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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