Omecamtiv mecarbil
Properties
- Molecular formula
- C20H24FN5O3
- Molar mass
- 401.44 g/mol
- Exact mass
- 401.1863 Da
- Melting point
- 180 °C
- logP
- 3.07Crippen estimate
- Polar surface area
- 90.3 Ų
- H-bond donors / acceptors
- 2 / 5
- Rotatable bonds
- 4
Hazards
Danger
- H370 Causes damage to organs100% of notifiers
- H372 Causes damage to organs through prolonged or repeated exposure100% of notifiers
Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P260, P264, P270, P308+P316, P319, P321, P405, P501
Identifiers
CAS number
873697-71-3SMILES
COC(=O)N1CCN(Cc2cccc(NC(O)=Nc3ccc(C)nc3)c2F)CC1InChIKey
RFUBTTPMWSKEIW-UHFFFAOYSA-NInChI
InChI=1S/C20H24FN5O3/c1-14-6-7-16(12-22-14)23-19(27)24-17-5-3-4-15(18(17)21)13-25-8-10-26(11-9-25)20(28)29-2/h3-7,12H,8-11,13H2,1-2H3,(H2,23,24,27)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
3 names
- 1-Piperazinecarboxylic acid, 4-[[2-fluoro-3-[[[(6-methyl-3-pyridinyl)amino]carbonyl]amino]phenyl]methyl]-, methyl ester
- CK 1827452
- Methyl 4-[[2-fluoro-3-[N′-(6-methylpyridin-3-yl)ureido]phenyl]methyl]piperazine-1-carboxylate