CCOC(=O)C1=C(N=C(S1)N2CCN(C2=O)C3=CC=CC=C3)C
Name: ethyl 4-methyl-2-(2-oxo-3-phenylimidazolidin-1-yl)-1,3-thiazole-5-carboxylate
SMILES: CCOC(=O)C1=C(N=C(S1)N2CCN(C2=O)C3=CC=CC=C3)C

Molecular Processing

Molecular formula
C16H17N3O3S
Molecular weight
331.4
Exact mass
331.0991
XLogP
3.07
TPSA
62.74
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
23
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.312
Molar refractivity
89.34

Supplementary Information

InChIKey: OTXHDQKNBMZZOG-UHFFFAOYSA-N
Synonyme
SCHEMBL242637OTXHDQKNBMZZOG-UHFFFAOYSA-Nethyl 4-methyl-2-(2-oxo-3-phenylimidazolidin-1-yl)thiazole-5-carboxylate
Quelle anzeigen →
An 74 Reaktionen beteiligt→

Erweiterte Suche

Teilstruktursuche→Ähnlichkeitssuche→