Nom: 3-(1-ethoxycarbonylnonylamino)-5-t-butoxycarbonylmethyl-2,3-dihydro-1,5-benzothiazepin-4(5H)-one
SMILES:
CCCCCCCCC(NC1CSc2ccccc2N(CC(=O)OC(C)(C)C)C1=O)C(=O)OCCMolecular Processing
Molecular formula
C27H42N2O5S
Molecular weight
506.71
Exact mass
506.2814
XLogP
5.11
TPSA
84.94
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
13
Heavy atoms
35
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.667
Molar refractivity
140.7
Supplementary Information
Récupération des détails…
Impliqué dans 4 réactions→