이름: compound
SMILES:
CSC1C(=O)Nc2ccc(CN3N=C(c4ccc(Cl)cc4)CSC3=O)cc21Molecular Processing
Molecular formula
C19H16ClN3O2S2
Molecular weight
417.94
Exact mass
417.0372
XLogP
4.77
TPSA
61.77
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
27
Rings
4
Aromatic rings
2
Saturated rings
0
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.211
Molar refractivity
112.71
Supplementary Information
상세 정보 불러오는 중…
6개 반응에 참여→