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Chemical ID: 4284397
Chemical ID:
4284397
Name [?]:
N-(2-phenylphenyl)thiophene-2-carboxamide
SMILES [?]:
c1ccc(cc1)c2ccccc2NC(=O)c3cccs3
InChi [?]:
InChI=1/C17H13NOS/c19-17(16-11-6-12-20-16)18-15-10-5-4-9-14(15)13-7-2-1-3-8-13/h1-12H,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,2,6,9,10,18,3,5,8,11,17,19,4,7,12,16,14,13,15,20/E:(2,3)(7,8)/rA:20nCCCCCCCCCCCCNCOCCCCS/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s9;d10;d7s11;s12;s13;d14;s14;d16;s17;d18;s16s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H13NOS |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.88431 |
Area: | 460.953 |
Solvation: | -1.63951 |
Coulombic: | -25.7812 |
Bond Count [?]
All: | 22 |
Single: | 13 |
Double: | 9 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 279.357 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.96 |
LogP (Chemaxon): | 4.2 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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