이름: ethyl (S)-11,12,13,13a-tetrahydro-9-oxo-9H-imidazo[1,5-a]pyrrolo[2,1-c][1,4]benzodiazepine-1-carboxylate
SMILES:
CCOC(=O)c1ncn2c1[C@@H]1CCCN1C(=O)c1ccccc1-2Molecular Processing
Molecular formula
C17H17N3O3
Molecular weight
311.34
Exact mass
311.127
XLogP
2.34
TPSA
64.43
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
23
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.353
Molar refractivity
82.53
Supplementary Information
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