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Chemical ID: 6851638
Chemical ID:
6851638
Name [?]:
N-[4-(4-butoxyphenyl)thiazol-2-yl]thiophene-2-carboxamide
SMILES [?]:
CCCCOc1ccc(cc1)c2csc(n2)NC(=O)c3cccs3
InChi [?]:
InChI=1/C18H18N2O2S2/c1-2-3-10-22-14-8-6-13(7-9-14)15-12-24-18(19-15)20-17(21)16-5-4-11-23-16/h4-9,11-12H,2-3,10H2,1H3,(H,19,20,21)
InChi Info:
AuxInfo=1/1/N:1,2,3,22,21,8,10,7,11,4,23,13,9,6,12,20,18,15,16,17,19,5,24,14/E:(6,7)(8,9)/rA:24nCCCCOCCCCCCCCSCNNCOCCCCS/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s9;d12;s13;s14;s12d15;s15;s17;d18;s18;d20;s21;d22;s20s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H18N2O2S2 |
All Atoms: | 42 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.5329 |
Area: | 590.73 |
Solvation: | -3.23538 |
Coulombic: | -37.1356 |
Bond Count [?]
All: | 26 |
Single: | 18 |
Double: | 8 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 358.48 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.12 |
LogP (Chemaxon): | 4.82 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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