Chemical ID: 6851339

CCCCCOc1ccc(cc1OC)C2C(C(=C)Nc3n2nnn3)C(=O)N
Chemical ID:
6851339
Name [?]:
5-(3-methoxy-4-pentoxy-phenyl)-3-methylene-2,6,7,8,9-pentazabicyclo[4.3.0]nona-7,9-diene-4-carboxamide
SMILES [?]:
CCCCCOc1ccc(cc1OC)C2C(C(=C)Nc3n2nnn3)C(=O)N
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C18H24N6O3
All Atoms:51
Heavy Atoms:27
Chiral Atoms:2
ZAP Information [?]
Total:9.11468
Area:592.267
Solvation:-5.692
Coulombic:-57.926
Bond Count [?]
All:29
Single:22
Double:7
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:372.422
H-Bond Donors:3
H-Bond Acceptors:5
XLogP:1.57
LogP (Chemaxon):1.17

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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