Chemical ID: 5845758

c1cc(sc1)CNC(=O)CCC(=O)NCC2CCCO2
Chemical ID:
5845758
Name [?]:
N'-(tetrahydrofuran-2-ylmethyl)-N-(2-thienylmethyl)butanediamide
SMILES [?]:
c1cc(sc1)CNC(=O)CCC(=O)NCC2CCCO2
InChi [?]:
InChI=1/C14H20N2O3S/c17-13(15-9-11-3-1-7-19-11)5-6-14(18)16-10-12-4-2-8-20-12/h2,4,8,11H,1,3,5-7,9-10H2,(H,15,17)(H,16,18)
InChi Info:
AuxInfo=1/1/N:18,1,17,2,11,10,19,5,15,6,16,3,12,8,14,7,13,9,20,4/rA:20cCCCSCCNCOCCCONCCCCCO/rB:s1;d2;s3;d1s4;s3;s6;s7;d8;s8;s10;s11;d12;s12;s14;s15;s16;s17;s18;s16s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H20N2O3S
All Atoms:20
Heavy Atoms:20
Chiral Atoms:1
ZAP Information [?]
Total:9.1333
Area:532.563
Solvation:-4.18077
Coulombic:-48.3941
Bond Count [?]
All:21
Single:17
Double:4
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:296.386
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:0.0
LogP (Chemaxon):-0.19

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Descriptor Annotations

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