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Chemical ID: 4185009
Chemical ID:
4185009
Name [?]:
N-[3-(2-thienylcarbonylamino)phenyl]thiophene-2-carboxamide
SMILES [?]:
c1cc(cc(c1)NC(=O)c2cccs2)NC(=O)c3cccs3
InChi [?]:
InChI=1/C16H12N2O2S2/c19-15(13-6-2-8-21-13)17-11-4-1-5-12(10-11)18-16(20)14-7-3-9-22-14/h1-10H,(H,17,19)(H,18,20)
InChi Info:
AuxInfo=1/1/N:1,12,20,6,2,11,19,13,21,4,5,3,10,18,8,16,7,15,9,17,14,22/E:(2,3)(4,5)(6,7)(8,9)(11,12)(13,14)(15,16)(17,18)(19,20)(21,22)/gE:(1,2)/rA:22nCCCCCCNCOCCCCSNCOCCCCS/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s8;d10;s11;d12;s10s13;s3;s15;d16;s16;d18;s19;d20;s18s21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H12N2O2S2 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.6543 |
Area: | 528.235 |
Solvation: | -2.55158 |
Coulombic: | -45.1562 |
Bond Count [?]
All: | 24 |
Single: | 15 |
Double: | 9 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 328.411 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 2.01 |
LogP (Chemaxon): | 2.99 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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