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Chemical ID: 3963582
Chemical ID:
3963582
Name [?]:
N-[5-(4-methoxybenzoyl)amino-2-pyridyl]thiophene-2-carboxamide
SMILES [?]:
COc1ccc(cc1)C(=O)Nc2ccc(nc2)NC(=O)c3cccs3
InChi [?]:
InChI=1/C18H15N3O3S/c1-24-14-7-4-12(5-8-14)17(22)20-13-6-9-16(19-11-13)21-18(23)15-3-2-10-25-15/h2-11H,1H3,(H,20,22)(H,19,21,23)
InChi Info:
AuxInfo=1/1/N:1,23,22,5,7,13,4,8,14,24,17,6,12,3,21,15,9,19,16,11,18,10,20,2,25/E:(4,5)(7,8)/rA:25nCOCCCCCCCONCCCCNCNCOCCCCS/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: | 9.25669 |
Area: | 568.851 |
Solvation: | -4.96458 |
Coulombic: | -54.472 |
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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