Chemical ID: 5916829

CCOCCCN(CC(=O)N(CCc1ccc(c(c1)OC)OC)Cc2cccs2)C(=O)N(C)C
Chemical ID:
5916829
Name [?]:
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(dimethylcarbamoyl-(3-ethoxypropyl)amino)-N-(2-thienylmethyl)acetamide
SMILES [?]:
CCOCCCN(CC(=O)N(CCc1ccc(c(c1)OC)OC)Cc2cccs2)C(=O)N(C)C
InChi [?]:
InChI=1/C25H37N3O5S/c1-6-33-15-8-13-28(25(30)26(2)3)19-24(29)27(18-21-9-7-16-34-21)14-12-20-10-11-22(31-4)23(17-20)32-5/h7,9-11,16-17H,6,8,12-15,18-19H2,1-5H3
InChi Info:
AuxInfo=1/0/N:1,33,34,23,21,2,27,5,26,15,16,13,6,12,4,28,19,24,8,14,25,17,18,9,30,32,11,7,10,31,22,20,3,29/E:(2,3)/rA:34nCCOCCCNCCONCCCCCCCCOCOCCCCCCSCONCC/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;s7;d30;s30;s32;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H37N3O5S
All Atoms:34
Heavy Atoms:34
Chiral Atoms:0
ZAP Information [?]
Total:10.6068
Area:769.437
Solvation:-8.62916
Coulombic:-64.5716
Bond Count [?]
All:35
Single:28
Double:7
Rotors:17
Chiral:0
Rigid Segments:12
Chemical Properties
Molecular Weight:491.645
H-Bond Donors:0
H-Bond Acceptors:8
XLogP:1.74
LogP (Chemaxon):1.8

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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