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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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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value