Chemical ID: 4910445

CCOC1C(=O)Nc2ccc(cc2C(=N1)c3ccccc3)Cl
Chemical ID:
4910445
Name [?]:
9-chloro-4-ethoxy-6-phenyl-2,5-diazabicyclo[5.4.0]undeca-5,8,10,12-tetraen-3-one
SMILES [?]:
CCOC1C(=O)Nc2ccc(cc2C(=N1)c3ccccc3)Cl
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C17H15ClN2O2
All Atoms:22
Heavy Atoms:22
Chiral Atoms:1
ZAP Information [?]
Total:8.70885
Area:502.977
Solvation:-3.86556
Coulombic:-38.7002
Bond Count [?]
All:24
Single:16
Double:8
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:314.766
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.36
LogP (Chemaxon):3.9

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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