Chemical ID: 5974724

CCCCCN1CC2=C(C1=O)C(NC(=O)N2CC=C)c3cc(cc(c3)OC)OC
Chemical ID:
5974724
Name [?]:
2-allyl-5-(3,5-dimethoxyphenyl)-8-pentyl-2,4,8-triazabicyclo[4.3.0]non-10-ene-3,7-dione
SMILES [?]:
CCCCCN1CC2=C(C1=O)C(NC(=O)N2CC=C)c3cc(cc(c3)OC)OC
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C22H29N3O4
All Atoms:29
Heavy Atoms:29
Chiral Atoms:1
ZAP Information [?]
Total:10.4806
Area:635.754
Solvation:-5.41329
Coulombic:-62.646
Bond Count [?]
All:31
Single:24
Double:7
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:399.483
H-Bond Donors:1
H-Bond Acceptors:7
XLogP:2.49
LogP (Chemaxon):1.38

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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