chempirical

Tak-788

C32H39N7O4CAS 1847461-43-1585.71 g/mol

Open in Covalent MOL file
OONNNNHHNONNO
AlkeneAmideEsterEtherSecondary amineTertiary amine

Properties

Molecular formula
C32H39N7O4
Molar mass
585.71 g/mol
Exact mass
585.3064 Da
logP
5.08Crippen estimate
Polar surface area
113.8 Ų
H-bond donors / acceptors
2 / 9
Rotatable bonds
12

Identifiers

CAS number
1847461-43-1
SMILES
CC(C)OC(=O)C1=CN=C(N=C1C2=CN(C3=CC=CC=C32)C)NC4=C(C=C(C(=C4)NC(=O)C=C)N(C)CCN(C)C)OC
InChIKey
AZSRSNUQCUDCGG-UHFFFAOYSA-N
InChI
InChI=1S/C32H39N7O4/c1-9-29(40)34-24-16-25(28(42-8)17-27(24)38(6)15-14-37(4)5)35-32-33-18-22(31(41)43-20(2)3)30(36-32)23-19-39(7)26-13-11-10-12-21(23)26/h9-13,16-20H,1,14-15H2,2-8H3,(H,34,40)(H,33,35,36)

Weigh it out

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

Names and synonyms

1 names
  • Mobocertinib

Work with Tak-788

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

Similar compounds

Osimertinib1421373-65-055 % similar N1-[2-(Dimethylamino)ethyl]-5-methoxy-N1-methyl-N4-[4-(1-methyl-1H-indol-3-yl)-2-pyrimidinyl]-2-nitro-1,4-benzenediamine1421372-67-951 % similar Osimertinib mesylate1421373-66-151 % similar Wz40021213269-23-836 % similar Rociletinib1374640-70-633 % similar Blu 99311538604-68-031 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook