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Chemical ID: 5916913

CCOCCCN(CC(=O)N(CCc1ccc(c(c1)OC)OC)Cc2ccc(s2)C)C(=O)C

Chemical ID:

5916913

Name [?]:

N-[[2-(3,4-dimethoxyphenyl)ethyl-[(5-methyl-2-thienyl)methyl]carbamoyl]methyl]-N-(3-ethoxypropyl)acetamide

SMILES [?]:

CCOCCCN(CC(=O)N(CCc1ccc(c(c1)OC)OC)Cc2ccc(s2)C)C(=O)C

InChi [?]:

InChI=1/C25H36N2O5S/c1-6-32-15-7-13-26(20(3)28)18-25(29)27(17-22-10-8-19(2)33-22)14-12-21-9-11-23(30-4)24(16-21)31-5/h8-11,16H,6-7,12-15,17-18H2,1-5H3

InChi Info:

AuxInfo=1/0/N:1,30,33,23,21,2,5,27,15,26,16,13,6,12,4,19,24,8,28,31,14,25,17,18,9,7,11,32,10,22,20,3,29/rA:33nCCOCCCNCCONCCCCCCCCOCOCCCCCCSCCOC/rB:s1;s2;s3;s4;s5;s6;s7;s8;d9;s9;s11;s12;s13;s14;d15;s16;d17;d14s18;s18;s20;s17;s22;s11;s24;d25;s26;d27;s25s28;s28;s7;d31;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₅H₃₆N₂O₅S
All Atoms:	33
Heavy Atoms:	33
Chiral Atoms:	0

ZAP Information [?]

Total:	10.287
Area:	768.122
Solvation:	-8.91606
Coulombic:	-53.4992

Bond Count [?]

All:	34
Single:	27
Double:	7
Rotors:	16
Chiral:	0
Rigid Segments:	11

Chemical Properties

Molecular Weight:	476.63
H-Bond Donors:	0
H-Bond Acceptors:	7
XLogP:	1.81
LogP (Chemaxon):	1.57

Name Annotations

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

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