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Chemical ID: 7097560
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
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Experimental Annotations
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Descriptor Annotations
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