이름: 1-[1-(2-Toluoylmethyl)-2-oxo-5-(3-methyl-2-butenyl)-8-methyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-3-yl]-3-(3-ethoxycarbonylphenyl)urea
SMILES:
CCOC(=O)c1cccc(NC(=O)NC2CN(CC=C(C)C)c3ccc(C)cc3N(CC(=O)c3ccccc3C)C2=O)c1Molecular Processing
Molecular formula
C34H38N4O5
Molecular weight
582.7
Exact mass
582.2842
XLogP
5.67
TPSA
108.05
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
9
Heavy atoms
43
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.294
Molar refractivity
169.03
Supplementary Information
상세 정보 불러오는 중…
4개 반응에 참여→