Chemical ID: 4266394

C1CCc2nc3c(c4c(s3)CCCC4)c(=O)n2CC1
Chemical ID:
4266394
Name [?]:
None
SMILES [?]:
C1CCc2nc3c(c4c(s3)CCCC4)c(=O)n2CC1
InChi [?]:
InChI=1/C15H18N2OS/c18-15-13-10-6-3-4-7-11(10)19-14(13)16-12-8-2-1-5-9-17(12)15/h1-9H2
InChi Info:
AuxInfo=1/0/N:1,2,13,12,19,14,11,3,18,8,9,4,7,6,15,5,17,16,10/rA:19nCCCCNCCCCSCCCCCONCC/rB:s1;s2;s3;d4;s5;d6;s7;d8;s6s9;s9;s11;s12;s8s13;s7;d15;s4s15;s17;s1s18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H18N2OS
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:9.34554
Area:425.366
Solvation:-1.28862
Coulombic:-22.9897
Bond Count [?]
All:22
Single:18
Double:4
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:274.382
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:1.49
LogP (Chemaxon):3.01

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