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Chemical ID: 7256300
Chemical ID:
7256300
Name [?]:
N-[4-(4-acetamidophenyl)thiazol-2-yl]-5-methyl-thiophene-2-carboxamide
SMILES [?]:
Cc1ccc(s1)C(=O)Nc2nc(cs2)c3ccc(cc3)NC(=O)C
InChi [?]:
InChI=1/C17H15N3O2S2/c1-10-3-8-15(24-10)16(22)20-17-19-14(9-23-17)12-4-6-13(7-5-12)18-11(2)21/h3-9H,1-2H3,(H,18,21)(H,19,20,22)
InChi Info:
AuxInfo=1/1/N:1,24,3,16,20,17,19,4,13,2,22,15,18,12,5,7,10,21,11,9,23,8,14,6/E:(4,5)(6,7)/rA:24nCCCCCSCONCNCCSCCCCCCNCOC/rB:s1;d2;s3;d4;s2s5;s5;d7;s7;s9;d10;s11;d12;s10s13;s12;s15;d16;s17;d18;d15s19;s18;s21;d22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H15N3O2S2 |
All Atoms: | 39 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.0004 |
Area: | 574.164 |
Solvation: | -3.35368 |
Coulombic: | -47.3494 |
Bond Count [?]
All: | 26 |
Single: | 17 |
Double: | 9 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 357.452 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 1.96 |
LogP (Chemaxon): | 3.18 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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