Chemical ID: 7389189

CCc1cc2c(s1)SC(NC2=O)c3ccccc3
Chemical ID:
7389189
Name [?]:
8-ethyl-4-phenyl-5,7-dithia-3-azabicyclo[4.3.0]nona-8,10-dien-2-one
SMILES [?]:
CCc1cc2c(s1)SC(NC2=O)c3ccccc3
InChi [?]:
InChI=1/C14H13NOS2/c1-2-10-8-11-12(16)15-13(18-14(11)17-10)9-6-4-3-5-7-9/h3-8,13H,2H2,1H3,(H,15,16)
InChi Info:
AuxInfo=1/1/N:1,2,16,15,17,14,18,4,13,3,5,11,9,6,10,12,7,8/E:(4,5)(6,7)/rA:18cCCCCCCSSCNCOCCCCCC/rB:s1;s2;d3;s4;d5;s3s6;s6;s8;s9;s5s10;d11;s9;s13;d14;s15;d16;d13s17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H13NOS2
All Atoms:31
Heavy Atoms:18
Chiral Atoms:1
ZAP Information [?]
Total:9.74172
Area:453.14
Solvation:-1.58678
Coulombic:-25.3189
Bond Count [?]
All:20
Single:14
Double:6
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:275.391
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:2.43
LogP (Chemaxon):3.29

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