Chemical ID: 5930679

Cc1ccn2c(c1)nc(c2NC(C)(C)CC(C)(C)C)c3ccccc3OC(=O)c4ccccc4Br
Chemical ID:
5930679
Name [?]:
[2-[4-methyl-9-(1,1,3,3-tetramethylbutylamino)-1,7-diazabicyclo[4.3.0]nona-2,4,6,8-tetraen-8-yl]phenyl] 2-bromobenzoate
SMILES [?]:
Cc1ccn2c(c1)nc(c2NC(C)(C)CC(C)(C)C)c3ccccc3OC(=O)c4ccccc4Br
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C29H32BrN3O2
All Atoms:35
Heavy Atoms:35
Chiral Atoms:0
ZAP Information [?]
Total:14.2405
Area:659.913
Solvation:-2.25727
Coulombic:-47.0509
Bond Count [?]
All:38
Single:27
Double:11
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:534.487
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:9.08
LogP (Chemaxon):7.89

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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