C1COCCN1C2=CC(=O)C=C(O2)C3=C4C(=CC=C3)SC5=C(S4)C=CC(=C5)N
Name: 2-(7-aminothianthren-1-yl)-6-morpholin-4-ylpyran-4-one
SMILES: C1COCCN1C2=CC(=O)C=C(O2)C3=C4C(=CC=C3)SC5=C(S4)C=CC(=C5)N

Molecular Processing

Molecular formula
C21H18N2O3S2
Molecular weight
410.52
Exact mass
410.0759
XLogP
4.34
TPSA
68.7
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
2
Heavy atoms
28
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.19
Molar refractivity
112.55

Supplementary Information

InChIKey: GCMWZMYMPMJKFN-UHFFFAOYSA-N
Synonyme
SCHEMBL3164241GCMWZMYMPMJKFN-UHFFFAOYSA-N2-(7-Amino-thianthren-1-yl)-6-morpholin-4-yl-pyran-4-one
Quelle anzeigen →
An 4 Reaktionen beteiligt→

Erweiterte Suche

Teilstruktursuche→Ähnlichkeitssuche→