名称: tert-butyl N-[[1-[4-[(4-amino-5-chloro-2-methoxybenzoyl)amino]butyl]pyrrolidin-3-yl]methyl]carbamate
SMILES:
CC(C)(C)OC(=O)NCC1CCN(C1)CCCCNC(=O)C2=CC(=C(C=C2OC)N)ClMolecular Processing
Molecular formula
C22H35ClN4O4
Molecular weight
455
Exact mass
454.2347
XLogP
3.29
TPSA
105.92
H-bond donors
3
H-bond acceptors
6
Rotatable bonds
9
Heavy atoms
31
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.636
Molar refractivity
122.77
Supplementary Information
InChIKey: RKROQMPGTUKGEY-UHFFFAOYSA-N
同義語
SCHEMBL7390074RKROQMPGTUKGEY-UHFFFAOYSA-N4-Amino-N-(4-(3-tert-butoxycarbonylaminomethylpyrrolidin-1-yl)-butyl)-5-chloro-2-methoxybenzamide
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