Chemical ID: 7246868

Cc1ccc(s1)c2csc3c2c(=O)[nH]cn3
Chemical ID:
7246868
Name [?]:
7-(5-methyl-2-thienyl)-9-thia-2,4-diazabicyclo[4.3.0]nona-2,7,10-trien-5-one
SMILES [?]:
Cc1ccc(s1)c2csc3c2c(=O)[nH]cn3
InChi [?]:
InChI=1/C11H8N2OS2/c1-6-2-3-8(16-6)7-4-15-11-9(7)10(14)12-5-13-11/h2-5H,1H3,(H,12,13,14)
InChi Info:
AuxInfo=1/1/N:1,3,4,8,15,2,7,5,11,12,10,14,16,13,9,6/rA:16nCCCCCSCCSCCCONCN/rB:s1;d2;s3;d4;s2s5;s5;d7;s8;s9;s7d10;s11;d12;s12;s14;s10d15;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H8N2OS2
All Atoms:24
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:7.72029
Area:394.069
Solvation:-2.13144
Coulombic:-26.4011
Bond Count [?]
All:18
Single:12
Double:6
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:248.326
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:0.78
LogP (Chemaxon):1.81

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Descriptor Annotations

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