Merimepodib

C₂₃H₂₄N₄O₆CAS 198821-22-6452.47 g/mol

Open in Covalent MOL file

Ether

Properties

Molecular formula: C₂₃H₂₄N₄O₆
Molar mass: 452.47 g/mol
Exact mass: 452.1696 Da
logP: 4.23Crippen estimate
Polar surface area: 130.9 Å²
H-bond donors / acceptors: 3 / 7
Rotatable bonds: 7
Stereocentres: Sin SMILES atom order

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

198821-22-6

SMILES

COc1cc(NC(O)=Nc2cccc(CN=C(O)O[C@H]3CCOC3)c2)ccc1-c1cnco1

InChIKey

JBPUGFODGPKTDW-SFHVURJKSA-N

InChI

InChI=1S/C23H24N4O6/c1-30-20-10-17(5-6-19(20)21-12-24-14-32-21)27-22(28)26-16-4-2-3-15(9-16)11-25-23(29)33-18-7-8-31-13-18/h2-6,9-10,12,14,18H,7-8,11,13H2,1H3,(H,25,29)(H2,26,27,28)/t18-/m0/s1

Weigh it out

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

Names and synonyms

5 names

Carbamic acid, N-[[3-[[[[3-methoxy-4-(5-oxazolyl)phenyl]amino]carbonyl]amino]phenyl]methyl]-, (3S)-tetrahydro-3-furanyl ester
Carbamic acid, [[3-[[[[3-methoxy-4-(5-oxazolyl)phenyl]amino]carbonyl]amino]phenyl]methyl]-, tetrahydro-3-furanyl ester, (S)-
Carbamic acid, [[3-[[[[3-methoxy-4-(5-oxazolyl)phenyl]amino]carbonyl]amino]phenyl]methyl]-, (3S)-tetrahydro-3-furanyl ester
VX 497
VI 21497

Work with Merimepodib

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

Elsewhere

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