名称: tert-butyl 2-[7-chloro-6-(3-chloropropoxy)-3-oxo-1,2-dihydroisoindol-4-yl]-5-(piperidin-1-ylmethyl)indole-1-carboxylate
SMILES:
CC(C)(C)OC(=O)N1C2=C(C=C(C=C2)CN3CCCCC3)C=C1C4=CC(=C(C5=C4C(=O)NC5)Cl)OCCCClMolecular Processing
Molecular formula
C30H35Cl2N3O4
Molecular weight
572.53
Exact mass
571.2005
XLogP
6.98
TPSA
72.8
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
7
Heavy atoms
39
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.467
Molar refractivity
155.15
Supplementary Information
InChIKey: DOABIVKRAUCWQB-UHFFFAOYSA-N
同義語
SCHEMBL3046394DOABIVKRAUCWQB-UHFFFAOYSA-N4-chloro-5-(3-chloropropoxy)-7-[1-(tert-butoxycarbonyl)-5-(piperidin-1-ylmethyl)indol-2-yl]isoindolinone
8 件の反応に参加→