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Chemical ID: 7306671

Chemical ID:

7306671

Name [?]:

N-[2-dimethylamino-2-(2-thienyl)ethyl]-4-ethyl-benzamide

SMILES [?]:

CCc1ccc(cc1)C(=O)NCC(c2cccs2)N(C)C

InChi [?]:

InChI=1/C17H22N2OS/c1-4-13-7-9-14(10-8-13)17(20)18-12-15(19(2)3)16-6-5-11-21-16/h5-11,15H,4,12H2,1-3H3,(H,18,20)

InChi Info:

AuxInfo=1/1/N:1,20,21,2,16,15,4,8,5,7,17,12,3,6,13,14,9,11,19,10,18/E:(2,3)(7,8)(9,10)/rA:21cCCCCCCCCCONCCCCCCSNCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s9;s11;s12;s13;d14;s15;d16;s14s17;s13;s19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₇H₂₂N₂OS
All Atoms:	43
Heavy Atoms:	21
Chiral Atoms:	1

ZAP Information [?]

Total:	10.4231
Area:	519.018
Solvation:	-2.55231
Coulombic:	-29.4368

Bond Count [?]

All:	22
Single:	16
Double:	6
Rotors:	7
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	302.435
H-Bond Donors:	1
H-Bond Acceptors:	3
XLogP:	3.06
LogP (Chemaxon):	3.05

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