Chemical ID: 5930322

CCC(c1ccccc1)C(=O)Oc2ccccc2c3c(n4ccccc4n3)NC(C)(C)CC(C)(C)C
Chemical ID:
5930322
Name [?]:
[2-[9-(1,1,3,3-tetramethylbutylamino)-1,7-diazabicyclo[4.3.0]nona-2,4,6,8-tetraen-8-yl]phenyl] 2-phenylbutanoate
SMILES [?]:
CCC(c1ccccc1)C(=O)Oc2ccccc2c3c(n4ccccc4n3)NC(C)(C)CC(C)(C)C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C31H37N3O2
All Atoms:36
Heavy Atoms:36
Chiral Atoms:1
ZAP Information [?]
Total:14.0068
Area:661.686
Solvation:-2.53534
Coulombic:-46.9509
Bond Count [?]
All:39
Single:28
Double:11
Rotors:10
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:483.645
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:8.52
LogP (Chemaxon):7.71

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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