Chemical ID: 5845760

c1cc(sc1)CNC(=O)CCC(=O)N
Chemical ID:
5845760
Name [?]:
N-(2-thienylmethyl)butanediamide
SMILES [?]:
c1cc(sc1)CNC(=O)CCC(=O)N
InChi [?]:
InChI=1/C9H12N2O2S/c10-8(12)3-4-9(13)11-6-7-2-1-5-14-7/h1-2,5H,3-4,6H2,(H2,10,12)(H,11,13)
InChi Info:
AuxInfo=1/1/N:1,2,11,10,5,6,3,12,8,14,7,13,9,4/rA:14nCCCSCCNCOCCCON/rB:s1;d2;s3;d1s4;s3;s6;s7;d8;s8;s10;s11;d12;s12;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H12N2O2S
All Atoms:14
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:7.38751
Area:408.464
Solvation:-2.8241
Coulombic:-44.7456
Bond Count [?]
All:14
Single:10
Double:4
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:212.27
H-Bond Donors:3
H-Bond Acceptors:4
XLogP:-0.88
LogP (Chemaxon):-0.67

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