이름: ethyl cis(±)-2-(4-{[(4-chloro-5-ethyl-1H-imidazol-2-yl)carbonyl]amino}-3-(2,2-difluoroethoxy)piperidin-1-yl)-1,3-thiazole-5-carboxylate
SMILES:
CCOC(=O)c1cnc(N2CC[C@H](NC(=O)c3nc(Cl)c(CC)[nH]3)[C@H](OCC(F)F)C2)s1Molecular Processing
Molecular formula
C19H24ClF2N5O4S
Molecular weight
491.95
Exact mass
491.1206
XLogP
2.92
TPSA
109.44
H-bond donors
2
H-bond acceptors
8
Rotatable bonds
9
Heavy atoms
32
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
13
Covalent units
1
Fraction Csp3
0.579
Molar refractivity
114.87
Supplementary Information
상세 정보 불러오는 중…
4개 반응에 참여→