Chemical ID: 4761983

CC1(Cc2c(c(sc2c3cc[nH]n3)SC)C(=O)C1)C
Chemical ID:
4761983
Name [?]:
3,3-dimethyl-7-methylsulfanyl-9-(1H-pyrazol-3-yl)-8-thiabicyclo[4.3.0]nona-6,9-dien-5-one
SMILES [?]:
CC1(Cc2c(c(sc2c3cc[nH]n3)SC)C(=O)C1)C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C14H16N2OS2
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:8.55674
Area:451.16
Solvation:-2.72225
Coulombic:-18.0589
Bond Count [?]
All:21
Single:16
Double:5
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:292.422
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:2.87
LogP (Chemaxon):3.12

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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