CCC(C)N1C=C(C2=C(C=C(C=C21)Br)C(=O)NCC3=C(C=C(NC3=O)C)C)C
CAS: 1346574-55-7
名称: 6-bromo-1-[(2R)-butan-2-yl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methylindole-4-carboxamide
SMILES: CCC(C)N1C=C(C2=C(C=C(C=C21)Br)C(=O)NCC3=C(C=C(NC3=O)C)C)C

Molecular Processing

Molecular formula
C22H26BrN3O2
Molecular weight
444.37
Exact mass
443.1208
XLogP
4.92
TPSA
66.89
H-bond donors
2
H-bond acceptors
2
Rotatable bonds
5
Heavy atoms
28
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.364
Molar refractivity
117.08

Supplementary Information

InChIKey: CWZRACDIDASDPP-OAHLLOKOSA-N
同義語
1346574-55-7(R)-6-bromo-1-(sec-butyl)-N-((4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)-3-methyl-1H-indole-4-carboxamide1H-Indole-4-carboxamide, 6-bromo-N-[(1,2-dihydro-4,6-dimethyl-2-oxo-3-pyridinyl)methyl]-3-methyl-1-[(1R)-1-methylpropyl]-6-bromo-1-[(2R)-butan-2-yl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methylindole-4-carboxamideC22H26BrN3O2SCHEMBL2588655CWZRACDIDASDPP-OAHLLOKOSA-NCS-M2403MFCD28167866AKOS037650375CS-14718C12690F7896856-bromo-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-1-[(1R)-1-methylpropyl]indole-4-carboxamide
出典を見る →
12 件の反応に参加→

拡張検索

部分構造検索→類似構造検索→