Chemical ID: 5930645

CCCC(=O)Oc1ccccc1c2c(n3ccc(cc3n2)C)NC(C)(C)CC(C)(C)C
Chemical ID:
5930645
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] butanoate
SMILES [?]:
CCCC(=O)Oc1ccccc1c2c(n3ccc(cc3n2)C)NC(C)(C)CC(C)(C)C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C26H35N3O2
All Atoms:31
Heavy Atoms:31
Chiral Atoms:0
ZAP Information [?]
Total:13.1125
Area:620.109
Solvation:-2.39019
Coulombic:-44.2996
Bond Count [?]
All:33
Single:25
Double:8
Rotors:9
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:421.575
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:7.38
LogP (Chemaxon):6.39

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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