Chemical ID: 5930306

CC(C)(C)CC(C)(C)Nc1c(nc2n1cccc2)c3ccccc3OC(=O)c4ccccc4Cl
Chemical ID:
5930306
Name [?]:
[2-[7-(1,1,3,3-tetramethylbutylamino)-6,9-diazabicyclo[4.3.0]nona-2,4,7,9-tetraen-8-yl]phenyl] 2-chlorobenzoate
SMILES [?]:
CC(C)(C)CC(C)(C)Nc1c(nc2n1cccc2)c3ccccc3OC(=O)c4ccccc4Cl
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C28H30ClN3O2
All Atoms:34
Heavy Atoms:34
Chiral Atoms:0
ZAP Information [?]
Total:13.7466
Area:641.454
Solvation:-2.28979
Coulombic:-47.283
Bond Count [?]
All:37
Single:26
Double:11
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:476.01
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:8.55
LogP (Chemaxon):7.15

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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