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Chemical ID: 6019697

Chemical ID:

6019697

Name [?]:

N-benzyl-2-cyclohexylamino-N-[(3-methyl-2-thienyl)methyl]acetamide

SMILES [?]:

Cc1ccsc1CN(Cc2ccccc2)C(=O)CNC3CCCCC3

InChi [?]:

InChI=1/C21H28N2OS/c1-17-12-13-25-20(17)16-23(15-18-8-4-2-5-9-18)21(24)14-22-19-10-6-3-7-11-19/h2,4-5,8-9,12-13,19,22H,3,6-7,10-11,14-16H2,1H3

InChi Info:

AuxInfo=1/0/N:1,13,23,12,14,22,24,11,15,21,25,3,4,18,9,7,2,10,20,6,16,19,8,17,5/E:(4,5)(6,7)(8,9)(10,11)/rA:25nCCCCSCCNCCCCCCCCOCNCCCCCC/rB:s1;s2;d3;s4;d2s5;s6;s7;s8;s9;s10;d11;s12;d13;d10s14;s8;d16;s16;s18;s19;s20;s21;s22;s23;s20s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₁H₂₈N₂OS
All Atoms:	25
Heavy Atoms:	25
Chiral Atoms:	0

ZAP Information [?]

Total:	11.3795
Area:	565.355
Solvation:	-2.75442
Coulombic:	-28.2419

Bond Count [?]

All:	27
Single:	21
Double:	6
Rotors:	8
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	356.526
H-Bond Donors:	1
H-Bond Acceptors:	3
XLogP:	3.59
LogP (Chemaxon):	3.99

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value