Name: 1-ethyl-3-[4-[4-(3-methylmorpholin-4-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-yl]phenyl]urea

SMILES: CCNC(=O)NC1=CC=C(C=C1)C2=NC3=C(CCNC3)C(=N2)N4CCOCC4C

Molecular Processing

Molecular formula

C21H28N6O2

Molecular weight

396.5

Exact mass

396.2274

XLogP

2.16

TPSA

91.41

H-bond donors

H-bond acceptors

Rotatable bonds

Heavy atoms

Rings

Aromatic rings

Saturated rings

Aliphatic rings

Stereo centers

Undefined stereo

Formal charge

Heteroatoms

Covalent units

Fraction Csp3

0.476

Molar refractivity

113.2

Supplementary Information

InChIKey: DXVKXAXORGPVCN-UHFFFAOYSA-N

Synonyme

SCHEMBL443771