Chemical ID: 5930646

CCCCC(=O)Oc1ccccc1c2c(n3ccc(cc3n2)C)NC(C)(C)CC(C)(C)C
Chemical ID:
5930646
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] pentanoate
SMILES [?]:
CCCCC(=O)Oc1ccccc1c2c(n3ccc(cc3n2)C)NC(C)(C)CC(C)(C)C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C27H37N3O2
All Atoms:32
Heavy Atoms:32
Chiral Atoms:0
ZAP Information [?]
Total:13.8287
Area:648.679
Solvation:-2.38825
Coulombic:-44.5996
Bond Count [?]
All:34
Single:26
Double:8
Rotors:10
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:435.602
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:7.95
LogP (Chemaxon):6.79

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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