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Chemical ID: 6019615

Chemical ID:

6019615

Name [?]:

N-[2-(3,4-dimethoxyphenyl)ethyl]-2-propylamino-N-(2-thienylmethyl)acetamide

SMILES [?]:

CCCNCC(=O)N(CCc1ccc(c(c1)OC)OC)Cc2cccs2

InChi [?]:

InChI=1/C20H28N2O3S/c1-4-10-21-14-20(23)22(15-17-6-5-12-26-17)11-9-16-7-8-18(24-2)19(13-16)25-3/h5-8,12-13,21H,4,9-11,14-15H2,1-3H3

InChi Info:

AuxInfo=1/0/N:1,20,18,2,24,23,12,13,10,3,9,25,16,5,21,11,22,14,15,6,4,8,7,19,17,26/rA:26nCCCNCCONCCCCCCCCOCOCCCCCCS/rB:s1;s2;s3;s4;s5;d6;s6;s8;s9;s10;s11;d12;s13;d14;d11s15;s15;s17;s14;s19;s8;s21;d22;s23;d24;s22s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₀H₂₈N₂O₃S
All Atoms:	26
Heavy Atoms:	26
Chiral Atoms:	0

ZAP Information [?]

Total:	9.51791
Area:	632.695
Solvation:	-6.29947
Coulombic:	-40.5694

Bond Count [?]

All:	27
Single:	21
Double:	6
Rotors:	12
Chiral:	0
Rigid Segments:	9

Chemical Properties

Molecular Weight:	376.514
H-Bond Donors:	1
H-Bond Acceptors:	5
XLogP:	2.12
LogP (Chemaxon):	2.49

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