Chemical ID: 6019646

Cc1ccsc1CN(CCc2ccc(c(c2)OC)OC)C(=O)CNCCOC
Chemical ID:
6019646
Name [?]:
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-methoxyethylamino)-N-[(3-methyl-2-thienyl)methyl]acetamide
SMILES [?]:
Cc1ccsc1CN(CCc2ccc(c(c2)OC)OC)C(=O)CNCCOC
InChi [?]:
InChI=1/C21H30N2O4S/c1-16-8-12-28-20(16)15-23(21(24)14-22-9-11-25-2)10-7-17-5-6-18(26-3)19(13-17)27-4/h5-6,8,12-13,22H,7,9-11,14-15H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,28,20,18,12,13,10,3,25,9,26,4,16,23,7,2,11,14,15,6,21,24,8,22,27,19,17,5/rA:28nCCCCSCCNCCCCCCCCOCOCCOCNCCOC/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;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H30N2O4S
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:7.86382
Area:655.685
Solvation:-8.52831
Coulombic:-46.5363
Bond Count [?]
All:29
Single:23
Double:6
Rotors:13
Chiral:0
Rigid Segments:10
Chemical Properties
Molecular Weight:406.54
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:1.29
LogP (Chemaxon):1.98

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Descriptor Annotations

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