名称: tert-butyl N-[4-[[[(6S)-3-(benzylamino)-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carbonyl]amino]methyl]benzenecarboximidoyl]carbamate

SMILES: CC(C)(C)OC(=O)NC(=N)C1=CC=C(C=C1)CNC(=O)C2CCC3=NC=C(C(=O)N23)NCC4=CC=CC=C4

Molecular Processing

Molecular formula

C28H32N6O4

Molecular weight

516.6

Exact mass

516.2485

XLogP

3.51

TPSA

138.2

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

0.321

Molar refractivity

144.11

Supplementary Information

InChIKey: LDJUPOGWPZRFLG-QFIPXVFZSA-N

同義語

SCHEMBL8349256