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Chemical ID: 6019627

Chemical ID:

6019627

Name [?]:

N-benzyl-2-(tetrahydrofuran-2-ylmethylamino)-N-(2-thienylmethyl)acetamide

SMILES [?]:

c1ccc(cc1)CN(Cc2cccs2)C(=O)CNCC3CCCO3

InChi [?]:

InChI=1/C19H24N2O2S/c22-19(13-20-12-17-8-4-10-23-17)21(15-18-9-5-11-24-18)14-16-6-2-1-3-7-16/h1-3,5-7,9,11,17,20H,4,8,10,12-15H2

InChi Info:

AuxInfo=1/0/N:1,2,6,22,12,3,5,21,11,23,13,19,17,7,9,4,20,10,15,18,8,16,24,14/E:(2,3)(6,7)/rA:24cCCCCCCCNCCCCCSCOCNCCCCCO/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;d10;s11;d12;s10s13;s8;d15;s15;s17;s18;s19;s20;s21;s22;s20s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₉H₂₄N₂O₂S
All Atoms:	24
Heavy Atoms:	24
Chiral Atoms:	1

ZAP Information [?]

Total:	9.04632
Area:	574.257
Solvation:	-5.3101
Coulombic:	-33.8414

Bond Count [?]

All:	26
Single:	20
Double:	6
Rotors:	9
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	344.472
H-Bond Donors:	1
H-Bond Acceptors:	4
XLogP:	1.97
LogP (Chemaxon):	2.17

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