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Chemical ID: 6019648

Cc1ccsc1CN(CCc2ccc(c(c2)OC)OC)C(=O)CNCCCOC

Chemical ID:

6019648

Name [?]:

N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-methoxypropylamino)-N-[(3-methyl-2-thienyl)methyl]acetamide

SMILES [?]:

Cc1ccsc1CN(CCc2ccc(c(c2)OC)OC)C(=O)CNCCCOC

InChi [?]:

InChI=1/C22H32N2O4S/c1-17-9-13-29-21(17)16-24(22(25)15-23-10-5-12-26-2)11-8-18-6-7-19(27-3)20(14-18)28-4/h6-7,9,13-14,23H,5,8,10-12,15-16H2,1-4H3

InChi Info:

AuxInfo=1/0/N:1,29,20,18,26,12,13,10,3,25,9,27,4,16,23,7,2,11,14,15,6,21,24,8,22,28,19,17,5/rA:29nCCCCSCCNCCCCCCCCOCOCCOCNCCCOC/rB:s1;s2;d3;s4;d2s5;s6;s7;s8;s9;s10;s11;d12;s13;d14;d11s15;s15;s17;s14;s19;s8;d21;s21;s23;s24;s25;s26;s27;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₂H₃₂N₂O₄S
All Atoms:	29
Heavy Atoms:	29
Chiral Atoms:	0

ZAP Information [?]

Total:	8.95259
Area:	684.85
Solvation:	-8.16865
Coulombic:	-47.1932

Bond Count [?]

All:	30
Single:	24
Double:	6
Rotors:	14
Chiral:	0
Rigid Segments:	10

Chemical Properties

Molecular Weight:	420.567
H-Bond Donors:	1
H-Bond Acceptors:	6
XLogP:	1.65
LogP (Chemaxon):	2.03

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

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value