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Chemical ID: 3856009
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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