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Chemical ID: 3930092
Chemical ID:
3930092
Name [?]:
N-[6-(4-methoxybenzoyl)amino-3-pyridyl]thiophene-2-carboxamide
SMILES [?]:
COc1ccc(cc1)C(=O)Nc2ccc(cn2)NC(=O)c3cccs3
InChi [?]:
InChI=1/C18H15N3O3S/c1-24-14-7-4-12(5-8-14)17(22)21-16-9-6-13(11-19-16)20-18(23)15-3-2-10-25-15/h2-11H,1H3,(H,20,23)(H,19,21,22)
InChi Info:
AuxInfo=1/1/N:1,23,22,5,7,14,4,8,13,24,16,6,15,3,21,12,9,19,17,18,11,10,20,2,25/E:(4,5)(7,8)/rA:25nCOCCCCCCCONCCCCCNNCOCCCCS/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s9;s11;s12;d13;s14;d15;d12s16;s15;s18;d19;s19;d21;s22;d23;s21s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H15N3O3S |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.19286 |
Area: | 569.194 |
Solvation: | -5.03698 |
Coulombic: | -54.4326 |
Bond Count [?]
All: | 27 |
Single: | 17 |
Double: | 10 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 353.396 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 1.96 |
LogP (Chemaxon): | 2.71 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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