Chemical ID: 6019616

COCCCNCC(=O)N(CCc1ccc(c(c1)OC)OC)Cc2cccs2
Chemical ID:
6019616
Name [?]:
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-methoxypropylamino)-N-(2-thienylmethyl)acetamide
SMILES [?]:
COCCCNCC(=O)N(CCc1ccc(c(c1)OC)OC)Cc2cccs2
InChi [?]:
InChI=1/C21H30N2O4S/c1-25-12-5-10-22-15-21(24)23(16-18-6-4-13-28-18)11-9-17-7-8-19(26-2)20(14-17)27-3/h4,6-8,13-14,22H,5,9-12,15-16H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,22,20,26,4,25,14,15,12,5,11,3,27,18,7,23,13,24,16,17,8,6,10,9,2,21,19,28/rA:28nCOCCCNCCONCCCCCCCCOCOCCCCCCS/rB:s1;s2;s3;s4;s5;s6;s7;d8;s8;s10;s11;s12;s13;d14;s15;d16;d13s17;s17;s19;s16;s21;s10;s23;d24;s25;d26;s24s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H30N2O4S
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:8.89332
Area:683.431
Solvation:-8.19245
Coulombic:-47.3654
Bond Count [?]
All:29
Single:23
Double:6
Rotors:14
Chiral:0
Rigid Segments:10
Chemical Properties
Molecular Weight:406.54
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:1.51
LogP (Chemaxon):1.57

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Descriptor Annotations

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