Chemical ID: 3856028

COCCCN(c1nc(cs1)c2ccc(cc2)OC)C(=O)c3cccs3
Chemical ID:
3856028
Name [?]:
N-[4-(4-methoxyphenyl)thiazol-2-yl]-N-(3-methoxypropyl)thiophene-2-carboxamide
SMILES [?]:
COCCCN(c1nc(cs1)c2ccc(cc2)OC)C(=O)c3cccs3
InChi [?]:
InChI=1/C19H20N2O3S2/c1-23-11-4-10-21(18(22)17-5-3-12-25-17)19-20-16(13-26-19)14-6-8-15(24-2)9-7-14/h3,5-9,12-13H,4,10-11H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,19,24,4,23,13,17,14,16,5,3,25,10,12,15,9,22,20,7,8,6,21,2,18,26,11/E:(6,7)(8,9)/rA:26nCOCCCNCNCCSCCCCCCOCCOCCCCS/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;s7s10;s9;s12;d13;s14;d15;d12s16;s15;s18;s6;d20;s20;d22;s23;d24;s22s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H20N2O3S2
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:9.52373
Area:593.233
Solvation:-5.30709
Coulombic:-39.332
Bond Count [?]
All:28
Single:20
Double:8
Rotors:9
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:388.506
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:3.08
LogP (Chemaxon):3.27

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