chempirical

Ky0211

C18H17ClN2O3SCAS 1118807-13-8376.86 g/mol

Open in Covalent MOL file
OOHNNSClO
AmideAryl halideEther

Properties

Molecular formula
C18H17ClN2O3S
Molar mass
376.86 g/mol
Exact mass
376.0648 Da
logP
4.54Crippen estimate
Polar surface area
60.5 Ų
H-bond donors / acceptors
1 / 5
Rotatable bonds
6

Identifiers

CAS number
1118807-13-8
SMILES
COC1=C(C=C(C=C1)CCC(=O)NC2=NC3=C(S2)C=C(C=C3)Cl)OC
InChIKey
LXFKEVQQSKQXPR-UHFFFAOYSA-N
InChI
InChI=1S/C18H17ClN2O3S/c1-23-14-7-3-11(9-15(14)24-2)4-8-17(22)21-18-20-13-6-5-12(19)10-16(13)25-18/h3,5-7,9-10H,4,8H2,1-2H3,(H,20,21,22)

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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

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

Elsewhere

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