Chemical ID: 4233853

CCc1cc2c(s1)nc(n(c2=O)CC=C)SCC(=O)c3ccccc3
Chemical ID:
4233853
Name [?]:
3-allyl-8-ethyl-4-phenacylsulfanyl-7-thia-3,5-diazabicyclo[4.3.0]nona-4,8,10-trien-2-one
SMILES [?]:
CCc1cc2c(s1)nc(n(c2=O)CC=C)SCC(=O)c3ccccc3
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C19H18N2O2S2
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:11.9303
Area:588.109
Solvation:-2.77239
Coulombic:-34.7252
Bond Count [?]
All:27
Single:18
Double:9
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:370.491
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:2.72
LogP (Chemaxon):4.48

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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