이름: cis-N-Boc-4-(4-bromobenzyl thio)-L-proline
SMILES:
CC(C)(C)OC(=O)N1C[C@@H](SCc2ccc(Br)cc2)C[C@H]1C(=O)OMolecular Processing
Molecular formula
C17H22BrNO4S
Molecular weight
416.34
Exact mass
415.0453
XLogP
4.14
TPSA
66.84
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
24
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.529
Molar refractivity
98.21
Supplementary Information
상세 정보 불러오는 중…
2개 반응에 참여→