Chemical ID: 6851293

COc1cc(ccc1OCc2ccc(cc2Cl)Cl)C3C(C(=C)Nc4n3ncn4)C(=O)N
Chemical ID:
6851293
Name [?]:
5-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxy-phenyl]-3-methylene-2,6,7,9-tetrazabicyclo[4.3.0]nona-7,9-diene-4-carboxamide
SMILES [?]:
COc1cc(ccc1OCc2ccc(cc2Cl)Cl)C3C(C(=C)Nc4n3ncn4)C(=O)N
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C21H19Cl2N5O3
All Atoms:50
Heavy Atoms:31
Chiral Atoms:2
ZAP Information [?]
Total:10.6384
Area:658.297
Solvation:-5.81908
Coulombic:-64.4395
Bond Count [?]
All:34
Single:24
Double:10
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:460.313
H-Bond Donors:3
H-Bond Acceptors:5
XLogP:3.33
LogP (Chemaxon):2.64

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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