Chemical ID: 6261502

c1ccc2c(c1)c(=O)cc(o2)C(=O)Nc3nc(cs3)c4ccncc4
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

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Descriptor Annotations

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