Chemical ID: 4488600

c1ccc2c(c1)C(=NS2(=O)=O)NC3CCCCCC3
Chemical ID:
4488600
Name [?]:
N-cycloheptyl-9,9-dioxo-9$l^{6}-thia-8-azabicyclo[4.3.0]nona-2,4,7,10-tetraen-7-amine
SMILES [?]:
c1ccc2c(c1)C(=NS2(=O)=O)NC3CCCCCC3
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C14H18N2O2S
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:9.46766
Area:446.243
Solvation:-1.6884
Coulombic:-20.2717
Bond Count [?]
All:21
Single:15
Double:6
Rotors:2
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:278.371
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.49
LogP (Chemaxon):2.9

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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