Chemical ID: 3856009

COCCN(c1nc(cs1)c2ccc(cc2)OC)C(=O)c3cccs3
Chemical ID:
3856009
Name [?]:
N-(2-methoxyethyl)-N-[4-(4-methoxyphenyl)thiazol-2-yl]-thiophene-2-carboxamide
SMILES [?]:
COCCN(c1nc(cs1)c2ccc(cc2)OC)C(=O)c3cccs3
InChi [?]:
InChI=1/C18H18N2O3S2/c1-22-10-9-20(17(21)16-4-3-11-24-16)18-19-15(12-25-18)13-5-7-14(23-2)8-6-13/h3-8,11-12H,9-10H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,18,23,22,12,16,13,15,4,3,24,9,11,14,8,21,19,6,7,5,20,2,17,25,10/E:(5,6)(7,8)/rA:25nCOCCNCNCCSCCCCCCOCCOCCCCS/rB:s1;s2;s3;s4;s5;d6;s7;d8;s6s9;s8;s11;d12;s13;d14;d11s15;s14;s17;s5;d19;s19;d21;s22;d23;s21s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H18N2O3S2
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:8.92202
Area:558.394
Solvation:-5.03782
Coulombic:-39.0006
Bond Count [?]
All:27
Single:19
Double:8
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:374.479
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:2.72
LogP (Chemaxon):3.21

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Descriptor Annotations

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