Nvp-bep800

C₂₁H₂₃Cl₂N₅O₂SCAS 847559-80-2480.41 g/mol

Open in Covalent MOL file

Amide Aryl halide Ether Primary amine Tertiary amine

Properties

Molecular formula: C₂₁H₂₃Cl₂N₅O₂S
Molar mass: 480.41 g/mol
Exact mass: 479.0950 Da
logP: 4.47Crippen estimate
Polar surface area: 93.4 Å²
H-bond donors / acceptors: 2 / 7
Rotatable bonds: 7

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

847559-80-2

SMILES

CCNC(=O)C1=CC2=C(N=C(N=C2S1)N)C3=CC(=C(C=C3Cl)Cl)OCCN4CCCC4

InChIKey

WJUNQSYQHHIVFX-UHFFFAOYSA-N

InChI

InChI=1S/C21H23Cl2N5O2S/c1-2-25-19(29)17-10-13-18(26-21(24)27-20(13)31-17)12-9-16(15(23)11-14(12)22)30-8-7-28-5-3-4-6-28/h9-11H,2-8H2,1H3,(H,25,29)(H2,24,26,27)

Weigh it out

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

Names and synonyms

1 names

2-Amino-4-(2,4-dichloro-5-(2-pyrrolidin-1-ylethoxy)phenyl)-N-ethylthieno(2,3-d)pyrimidine-6-carboxamide

Work with Nvp-bep800

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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