Chemical ID: 6019678

CCCNCC(=O)N(CCc1ccc(c(c1)OC)OC)Cc2ccc(s2)C
Chemical ID:
6019678
Name [?]:
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(5-methyl-2-thienyl)methyl]-2-propylamino-acetamide
SMILES [?]:
CCCNCC(=O)N(CCc1ccc(c(c1)OC)OC)Cc2ccc(s2)C
InChi [?]:
InChI=1/C21H30N2O3S/c1-5-11-22-14-21(24)23(15-18-8-6-16(2)27-18)12-10-17-7-9-19(25-3)20(13-17)26-4/h6-9,13,22H,5,10-12,14-15H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,27,20,18,2,24,12,23,13,10,3,9,16,5,21,25,11,22,14,15,6,4,8,7,19,17,26/rA:27nCCCNCCONCCCCCCCCOCOCCCCCCSC/rB:s1;s2;s3;s4;s5;d6;s6;s8;s9;s10;s11;d12;s13;d14;d11s15;s15;s17;s14;s19;s8;s21;d22;s23;d24;s22s25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H30N2O3S
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:10.1896
Area:659.408
Solvation:-6.29559
Coulombic:-40.4388
Bond Count [?]
All:28
Single:22
Double:6
Rotors:12
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:390.541
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:1.97
LogP (Chemaxon):2.49

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