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Chemical ID: 3963577
Chemical ID:
3963577
Name [?]:
N-[5-(3-methoxybenzoyl)amino-2-pyridyl]thiophene-2-carboxamide
SMILES [?]:
COc1cccc(c1)C(=O)Nc2ccc(nc2)NC(=O)c3cccs3
InChi [?]:
InChI=1/C18H15N3O3S/c1-24-14-5-2-4-12(10-14)17(22)20-13-7-8-16(19-11-13)21-18(23)15-6-3-9-25-15/h2-11H,1H3,(H,20,22)(H,19,21,23)
InChi Info:
AuxInfo=1/1/N:1,5,23,6,4,22,13,14,24,8,17,7,12,3,21,15,9,19,16,11,18,10,20,2,25/rA:25nCOCCCCCCCONCCCCNCNCOCCCCS/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;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: | 9.14756 |
Area: | 569.438 |
Solvation: | -5.08838 |
Coulombic: | -54.3502 |
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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