Chemical ID: 4806271

CCCC(=O)Nc1nc2n(n1)C(CC(N2)c3ccc(cc3)OC)c4ccc(cc4)OC
Chemical ID:
4806271
Name [?]:
N-[3,5-bis(4-methoxyphenyl)-2,6,7,9-tetrazabicyclo[4.3.0]nona-7,9-dien-8-yl]butanamide
SMILES [?]:
CCCC(=O)Nc1nc2n(n1)C(CC(N2)c3ccc(cc3)OC)c4ccc(cc4)OC
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C23H27N5O3
All Atoms:31
Heavy Atoms:31
Chiral Atoms:2
ZAP Information [?]
Total:10.4704
Area:668.323
Solvation:-6.23766
Coulombic:-60.2166
Bond Count [?]
All:34
Single:25
Double:9
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:421.492
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:4.04
LogP (Chemaxon):4.09

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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