CC(C)(C)OC(=O)NCCCOC1=CC=CC2=C1C=CN=C2Cl
名称: tert-butyl N-[3-(1-chloroisoquinolin-5-yl)oxypropyl]carbamate
SMILES: CC(C)(C)OC(=O)NCCCOC1=CC=CC2=C1C=CN=C2Cl

Molecular Processing

Molecular formula
C17H21ClN2O3
Molecular weight
336.82
Exact mass
336.1241
XLogP
4.18
TPSA
60.45
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
23
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.412
Molar refractivity
91.1

Supplementary Information

InChIKey: XNNDSQPJKWXNRG-UHFFFAOYSA-N
同義語
SCHEMBL5663238XNNDSQPJKWXNRG-UHFFFAOYSA-NN-(tert-butoxycarbonyl)-3-[(1-chloro-5-isoquinolyl)oxy]propylamineN-(tert-butoxycarbonyl)-3-[(1-chloro-5-isoquinolyl)oxy]-propylamine
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