GPR81 agonist 1

C₂₂H₃₀N₄O₂S₂CAS 1620992-67-7446.63 g/mol

Open in Covalent MOL file

Amide Tertiary amine

Properties

Molecular formula: C₂₂H₃₀N₄O₂S₂
Molar mass: 446.63 g/mol
Exact mass: 446.1810 Da
logP: 3.95Crippen estimate
Polar surface area: 65.5 Å²
H-bond donors / acceptors: 1 / 6
Rotatable bonds: 5

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

1620992-67-7

SMILES

CC1CCC(CC1)C(=O)NC2=NC(=C(S2)CC(=O)N3CCN(CC3)C)C4=CC=CS4

InChIKey

ZLQAEANISSHOLB-UHFFFAOYSA-N

InChI

InChI=1S/C22H30N4O2S2/c1-15-5-7-16(8-6-15)21(28)24-22-23-20(17-4-3-13-29-17)18(30-22)14-19(27)26-11-9-25(2)10-12-26/h3-4,13,15-16H,5-12,14H2,1-2H3,(H,23,24,28)

Weigh it out

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

Names and synonyms

1 names

trans-4-Methyl-N-[5-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-4-(2-thienyl)-1,3-thiazol-2-yl]cyclohexanecarboxamide

Work with GPR81 agonist 1

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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