Dalcetrapib

C₂₃H₃₅NO₂SCAS 211513-37-0389.60 g/mol

Open in Covalent MOL file

Sulfide

Properties

Molecular formula: C₂₃H₃₅NO₂S
Molar mass: 389.60 g/mol
Exact mass: 389.2389 Da
Melting point: 63–63.5 °C
logP: 7.33Crippen estimate
Polar surface area: 49.7 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 8

Hazards

H413 May cause long lasting harmful effects to aquatic life100% of notifiers

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P273, P501

Identifiers

CAS number

211513-37-0

SMILES

CCC(CC)CC1(C(O)=Nc2ccccc2SC(=O)C(C)C)CCCCC1

InChIKey

YZQLWPMZQVHJED-UHFFFAOYSA-N

InChI

InChI=1S/C23H35NO2S/c1-5-18(6-2)16-23(14-10-7-11-15-23)22(26)24-19-12-8-9-13-20(19)27-21(25)17(3)4/h8-9,12-13,17-18H,5-7,10-11,14-16H2,1-4H3,(H,24,26)

Weigh it out

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

Names and synonyms

2 names

Propanethioic acid, 2-methyl-, S-[2-[[[1-(2-ethylbutyl)cyclohexyl]carbonyl]amino]phenyl] ester
JTT 705

Work with Dalcetrapib

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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