Chemical ID: 6842460

Cc1c(sc2c1C[NH+](CN2C(=O)c3ccco3)C4CC([NH2+]C(C4)(C)C)(C)C)C
Chemical ID:
6842460
Name [?]:
[7,8-dimethyl-4-(2,2,6,6-tetramethyl-4,5-dihydro-3H-pyridin-4-yl)-9-thia-2-aza-4-azoniabicyclo[4.3.0]nona-7,10-dien-2-yl]-(2-furyl)methanone
SMILES [?]:
Cc1c(sc2c1C[NH+](CN2C(=O)c3ccco3)C4CC([NH2+]C(C4)(C)C)(C)C)C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C22H33N3O2S+2
All Atoms:61
Heavy Atoms:28
Chiral Atoms:1
ZAP Information [?]
Total:-80.5563
Area:587.092
Solvation:-95.2336
Coulombic:79.1938
Bond Count [?]
All:31
Single:26
Double:5
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:403.582
H-Bond Donors:3
H-Bond Acceptors:4
XLogP:2.77
LogP (Chemaxon):2.55

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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