COC(=O)Cc1c(C)nc2sc3c(c2c1C(C)(C)C)CCC3
Name: Methyl [2-methyl-4-(tert-butyl)-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-b]pyridin-3-yl]acetate
SMILES: COC(=O)Cc1c(C)nc2sc3c(c2c1C(C)(C)C)CCC3

Molecular Processing

Molecular formula
C18H23NO2S
Molecular weight
317.45
Exact mass
317.1449
XLogP
4.11
TPSA
39.19
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
22
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.556
Molar refractivity
90.8

Supplementary Information

Details werden geladen…

An 1 Reaktionen beteiligt→

Erweiterte Suche

Teilstruktursuche→Ähnlichkeitssuche→