chempirical

Pirodavir

C21H27N3O3CAS 124436-59-5369.47 g/mol

Open in Covalent MOL file
OOONNN
EsterEtherTertiary amine

Properties

Molecular formula
C21H27N3O3
Molar mass
369.47 g/mol
Exact mass
369.2052 Da
logP
3.65Crippen estimate
Polar surface area
64.6 Ų
H-bond donors / acceptors
0 / 6
Rotatable bonds
7

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
124436-59-5
SMILES
CCOC(=O)C1=CC=C(C=C1)OCCC2CCN(CC2)C3=NN=C(C=C3)C
InChIKey
KCHIOGFOPPOUJC-UHFFFAOYSA-N
InChI
InChI=1S/C21H27N3O3/c1-3-26-21(25)18-5-7-19(8-6-18)27-15-12-17-10-13-24(14-11-17)20-9-4-16(2)22-23-20/h4-9,17H,3,10-15H2,1-2H3

Weigh it out

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

Work with Pirodavir

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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