Chemical ID: 5458139

CCOC(=O)c1c(c([nH]c1C)c2cn3ccccc3n2)C
Chemical ID:
5458139
Name [?]:
ethyl 5-(1,7-diazabicyclo[4.3.0]nona-2,4,6,8-tetraen-8-yl)-2,4-dimethyl-1H-pyrrole-3-carboxylate
SMILES [?]:
CCOC(=O)c1c(c([nH]c1C)c2cn3ccccc3n2)C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C16H17N3O2
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:9.82467
Area:492.037
Solvation:-2.47625
Coulombic:-41.7919
Bond Count [?]
All:23
Single:16
Double:7
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:283.325
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:2.41
LogP (Chemaxon):2.57

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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