chempirical

Hs-173

C21H18N4O4SCAS 1276110-06-5422.46 g/mol

Open in Covalent MOL file
OONNNHNSOO
EsterSulfonamide

Properties

Molecular formula
C21H18N4O4S
Molar mass
422.46 g/mol
Exact mass
422.1049 Da
logP
3.37Crippen estimate
Polar surface area
102.7 Ų
H-bond donors / acceptors
1 / 6
Rotatable bonds
6

Identifiers

CAS number
1276110-06-5
SMILES
CCOC(=O)C1=CN=C2N1C=C(C=C2)C3=CC(=CN=C3)NS(=O)(=O)C4=CC=CC=C4
InChIKey
SEKOTFCHZNXZMM-UHFFFAOYSA-N
InChI
InChI=1S/C21H18N4O4S/c1-2-29-21(26)19-13-23-20-9-8-15(14-25(19)20)16-10-17(12-22-11-16)24-30(27,28)18-6-4-3-5-7-18/h3-14,24H,2H2,1H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Work with Hs-173

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Ethyl 6-chloroimidazo[1,2-b]pyridazine-3-carboxylate1150566-27-037 % similar Etomidate33125-97-236 % similar Ethyl 5-phenylisoxazole-3-carboxylate7063-99-234 % similar Ethyl 5-amino-1-phenyl-4-pyrazolecarboxylate16078-71-033 % similar Ethyl benzoate93-89-032 % similar Imidazo[1,2-A]pyridine-3-aceticacid,ethylester101820-69-332 % similar Ethyl 2-pyridinecarboxylate2524-52-932 % similar N-Phenylbenzenesulfonamide1678-25-732 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook