名称: 1-[1-(2,5-dimethylthiophen-3-yl)carbonylmethyl-2-oxo-5-cyclohexyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-3-yl]-3-(3-tert-butoxycarbonylphenyl)urea
SMILES:
Cc1cc(C(=O)CN2C(=O)C(NC(=O)Nc3cccc(C(=O)OC(C)(C)C)c3)CN(C3CCCCC3)c3ccccc32)c(C)s1Molecular Processing
Molecular formula
C35H42N4O5S
Molecular weight
630.81
Exact mass
630.2876
XLogP
6.88
TPSA
108.05
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
7
Heavy atoms
45
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.429
Molar refractivity
178.69
Supplementary Information
詳細情報を取得中…
2 件の反応に参加→