CCOC(=O)C1=CN(C2=NC(=NC=C2C1=O)NCCCN3CCCC3)C4=CC5=C(CCC5)C=C4
الاسم: ethyl 8-(2,3-dihydro-1H-inden-5-yl)-5-oxo-2-(3-pyrrolidin-1-ylpropylamino)pyrido[2,3-d]pyrimidine-6-carboxylate
SMILES: CCOC(=O)C1=CN(C2=NC(=NC=C2C1=O)NCCCN3CCCC3)C4=CC5=C(CCC5)C=C4

Molecular Processing

Molecular formula
C26H31N5O3
Molecular weight
461.57
Exact mass
461.2427
XLogP
3.34
TPSA
89.35
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
8
Heavy atoms
34
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.462
Molar refractivity
131.9

Supplementary Information

InChIKey: MVXYJHGNOXWEHX-UHFFFAOYSA-N
مرادفات
SCHEMBL3290718MVXYJHGNOXWEHX-UHFFFAOYSA-N8-Indan-5-yl-5-oxo-2-(3-pyrrolidin-1-yl-propylamino)-5,8-dihydro-pyrido[2,3-d]pyrimidine-6-carboxylic acid ethyl ester
عرض المصدر →
مشارك في 2 تفاعل→

بحث موسع

بحث البنية الفرعية→بحث التشابه→