이름: 1-[1-(2-toluoylmethyl)-2-oxo-5-(2-thenoyl)-8-methyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-3-yl]-3-(3-methoxycarbonyl-4-methylphenyl)urea
SMILES:
COC(=O)c1cc(NC(=O)NC2CN(C(=O)c3cccs3)c3ccc(C)cc3N(CC(=O)c3ccccc3C)C2=O)ccc1CMolecular Processing
Molecular formula
C34H32N4O6S
Molecular weight
624.72
Exact mass
624.2043
XLogP
5.53
TPSA
125.12
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
7
Heavy atoms
45
Rings
5
Aromatic rings
4
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.206
Molar refractivity
173.5
Supplementary Information
상세 정보 불러오는 중…
3개 반응에 참여→