Chemical ID: 6154934

CCCCCCOc1ccc(cc1OC)C2C(=C(Nc3n2nnn3)C)C(=O)OC(C)C
Chemical ID:
6154934
Name [?]:
isopropyl 5-(4-hexoxy-3-methoxy-phenyl)-3-methyl-2,6,7,8,9-pentazabicyclo[4.3.0]nona-3,7,9-triene-4-carboxylate
SMILES [?]:
CCCCCCOc1ccc(cc1OC)C2C(=C(Nc3n2nnn3)C)C(=O)OC(C)C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C22H31N5O4
All Atoms:31
Heavy Atoms:31
Chiral Atoms:1
ZAP Information [?]
Total:11.445
Area:669.807
Solvation:-5.30016
Coulombic:-52.5734
Bond Count [?]
All:33
Single:26
Double:7
Rotors:11
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:429.513
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:4.03
LogP (Chemaxon):3.01

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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