Chemical ID: 7097560

CCCNC(=O)c1cc2c(n1C)ccs2
Chemical ID:
7097560
Name [?]:
6-methyl-N-propyl-2-thia-6-azabicyclo[3.3.0]octa-3,7,9-triene-7-carboxamide
SMILES [?]:
CCCNC(=O)c1cc2c(n1C)ccs2
InChi [?]:
InChI=1/C11H14N2OS/c1-3-5-12-11(14)9-7-10-8(13(9)2)4-6-15-10/h4,6-7H,3,5H2,1-2H3,(H,12,14)
InChi Info:
AuxInfo=1/1/N:1,12,2,13,3,14,8,10,7,9,5,4,11,6,15/rA:15nCCCNCOCCCCNCCCS/rB:s1;s2;s3;s4;d5;s5;d7;s8;d9;s7s10;s11;s10;d13;s9s14;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H14N2OS
All Atoms:29
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:8.44795
Area:408.481
Solvation:-1.76407
Coulombic:-29.5934
Bond Count [?]
All:16
Single:12
Double:4
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:222.308
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:2.03
LogP (Chemaxon):2.21

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue