이름: (R)-6-(4-chloro-3-cyclopropyl-1-methyl-1H-pyrazol-5-yl)-2-(3,5-dimethyl-1-tosyl-1H-indazol-4-yl)-4-(4-methoxy-3,3-dimethylpiperidin-1-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
SMILES:
CO[C@@H]1CCN(c2nc(-c3c(C)ccc4c3c(C)nn4S(=O)(=O)c3ccc(C)cc3)nc3c2CN(c2c(Cl)c(C4CC4)nn2C)CC3)CC1(C)CMolecular Processing
Molecular formula
C38H45ClN8O3S
Molecular weight
729.35
Exact mass
728.3024
XLogP
6.73
TPSA
111.27
H-bond donors
0
H-bond acceptors
9
Rotatable bonds
7
Heavy atoms
51
Rings
8
Aromatic rings
5
Saturated rings
2
Aliphatic rings
3
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
13
Covalent units
1
Fraction Csp3
0.474
Molar refractivity
200.35
Supplementary Information
상세 정보 불러오는 중…
2개 반응에 참여→