Chemical ID: 6205672

CC1=C(C(n2c(ncn2)N1)c3cccnc3)C(=O)OC4CCCCC4
Chemical ID:
6205672
Name [?]:
cyclohexyl 4-methyl-2-(3-pyridyl)-1,5,7,9-tetrazabicyclo[4.3.0]nona-3,6,8-triene-3-carboxylate
SMILES [?]:
CC1=C(C(n2c(ncn2)N1)c3cccnc3)C(=O)OC4CCCCC4
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C18H21N5O2
All Atoms:25
Heavy Atoms:25
Chiral Atoms:1
ZAP Information [?]
Total:9.70507
Area:503.307
Solvation:-2.8776
Coulombic:-47.2874
Bond Count [?]
All:28
Single:21
Double:7
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:339.392
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:2.4
LogP (Chemaxon):1.3

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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