Chemical ID: 5507413

Cc1ccc(c(c1)N2C(=C(C(=O)NC23CCCC=C3)C#N)S)C
Chemical ID:
5507413
Name [?]:
5-(2,5-dimethylphenyl)-2-oxo-4-sulfanyl-1,5-diazaspiro[5.5]undeca-3,7-diene-3-carbonitrile
SMILES [?]:
Cc1ccc(c(c1)N2C(=C(C(=O)NC23CCCC=C3)C#N)S)C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C18H19N3OS
All Atoms:23
Heavy Atoms:23
Chiral Atoms:1
ZAP Information [?]
Total:10.0045
Area:483.48
Solvation:-2.0825
Coulombic:-34.8904
Bond Count [?]
All:25
Single:18
Double:6
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:325.429
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.85
LogP (Chemaxon):5.06

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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