Name: ethyl (S)-10,11,12,12a-tetrahydro-8-oxo-8H-imidazo[5,1-c]pyrrolo[1,2-a]thieno[3,2-e][1,4]diazepine-1-carboxylate
SMILES:
CCOC(=O)c1ncn2c1[C@@H]1CCCN1C(=O)c1sccc1-2Molecular Processing
Molecular formula
C15H15N3O3S
Molecular weight
317.37
Exact mass
317.0834
XLogP
2.4
TPSA
64.43
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
2
Heavy atoms
22
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.4
Molar refractivity
80.41
Supplementary Information
Details werden geladen…
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