이름: ethyl 1-(5-bromo-4-(4-cyclopropylnaphthalen-1-yl)-4H-1,2,4-triazol-3-ylthio)cyclobutanecarboxylate
SMILES:
CCOC(=O)C1(Sc2nnc(Br)n2-c2ccc(C3CC3)c3ccccc23)CCC1Molecular Processing
Molecular formula
C22H22BrN3O2S
Molecular weight
472.41
Exact mass
471.0616
XLogP
5.64
TPSA
57.01
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
29
Rings
5
Aromatic rings
3
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.409
Molar refractivity
117.61
Supplementary Information
상세 정보 불러오는 중…
16개 반응에 참여→