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Chemical ID: 4745967
Chemical ID:
4745967
Name [?]:
N,N'-bis(2-thienylmethyl)pentanediamide
SMILES [?]:
c1cc(sc1)CNC(=O)CCCC(=O)NCc2cccs2
InChi [?]:
InChI=1/C15H18N2O2S2/c18-14(16-10-12-4-2-8-20-12)6-1-7-15(19)17-11-13-5-3-9-21-13/h2-5,8-9H,1,6-7,10-11H2,(H,16,18)(H,17,19)
InChi Info:
AuxInfo=1/1/N:11,1,19,2,18,10,12,5,20,6,16,3,17,8,13,7,15,9,14,4,21/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)(14,15)(16,17)(18,19)(20,21)/gE:(1,2)/rA:21nCCCSCCNCOCCCCONCCCCCS/rB:s1;d2;s3;d1s4;s3;s6;s7;d8;s8;s10;s11;s12;d13;s13;s15;s16;d17;s18;d19;s17s20;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H18N2O2S2 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.428 |
Area: | 570.432 |
Solvation: | -3.83285 |
Coulombic: | -41.5673 |
Bond Count [?]
All: | 22 |
Single: | 16 |
Double: | 6 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 322.448 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 0.77 |
LogP (Chemaxon): | 1.17 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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