이름: Methyl (3-chloro-5-oxo-5H-benzo[4,5]cyclohepta[1,2-b]pyridin-7-yl)[(dimethylamino)sulfonyl]acetate
SMILES:
COC(=O)C(c1ccc2ccc3ncc(Cl)cc3c(=O)c2c1)S(=O)(=O)N(C)CMolecular Processing
Molecular formula
C19H17ClN2O5S
Molecular weight
420.87
Exact mass
420.0547
XLogP
2.51
TPSA
93.64
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
4
Heavy atoms
28
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.211
Molar refractivity
107.89
Supplementary Information
상세 정보 불러오는 중…
6개 반응에 참여→