SMILES:
COc1cc(NC(=S)OCCCN2CCN(c3ccccc3Cl)CC2)cc(OC)c1OC.ClMolecular Processing
Molecular formula
C23H31Cl2N3O4S
Molecular weight
516.49
Exact mass
515.1412
XLogP
4.71
TPSA
55.43
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
9
Heavy atoms
33
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
2
Fraction Csp3
0.435
Molar refractivity
140.24
Supplementary Information
상세 정보 불러오는 중…
1개 반응에 참여→