Chemical ID: 6044478

CN1C2=C(C(NC1=O)c3cccc(c3)Oc4ccccc4)C(=O)N(C2)CCN(C)C
Chemical ID:
6044478
Name [?]:
8-(2-dimethylaminoethyl)-2-methyl-5-(3-phenoxyphenyl)-2,4,8-triazabicyclo[4.3.0]non-10-ene-3,7-dione
SMILES [?]:
CN1C2=C(C(NC1=O)c3cccc(c3)Oc4ccccc4)C(=O)N(C2)CCN(C)C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C23H26N4O3
All Atoms:30
Heavy Atoms:30
Chiral Atoms:1
ZAP Information [?]
Total:11.6015
Area:629.534
Solvation:-4.13681
Coulombic:-60.747
Bond Count [?]
All:33
Single:24
Double:9
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:406.478
H-Bond Donors:1
H-Bond Acceptors:7
XLogP:1.46
LogP (Chemaxon):0.95

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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