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Chemical ID: 6261502
Chemical ID:
6261502
Name [?]:
4-oxo-N-[4-(4-pyridyl)thiazol-2-yl]-chromene-2-carboxamide
SMILES [?]:
c1ccc2c(c1)c(=O)cc(o2)C(=O)Nc3nc(cs3)c4ccncc4
InChi [?]:
InChI=1/C18H11N3O3S/c22-14-9-16(24-15-4-2-1-3-12(14)15)17(23)21-18-20-13(10-25-18)11-5-7-19-8-6-11/h1-10H,(H,20,21,23)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,21,25,22,24,9,18,20,5,17,7,4,10,12,15,23,16,14,8,13,11,19/E:(5,6)(7,8)/rA:25nCCCCCCCOCCOCONCNCCSCCCNCC/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;d9;s4s10;s10;d12;s12;s14;d15;s16;d17;s15s18;s17;s20;d21;s22;d23;d20s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H11N3O3S |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.0314 |
Area: | 547.859 |
Solvation: | -3.66509 |
Coulombic: | -48.8524 |
Bond Count [?]
All: | 28 |
Single: | 17 |
Double: | 11 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 349.364 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 2.25 |
LogP (Chemaxon): | 3.02 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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