CC1(CCC(=O)C2C1CN(C2)C(=O)CC3=CC=CC=C3OC)C4=CC=CC=C4
이름: 2-[2-(2-methoxyphenyl)acetyl]-7-methyl-7-phenyl-1,3,3a,5,6,7a-hexahydroisoindol-4-one
SMILES: CC1(CCC(=O)C2C1CN(C2)C(=O)CC3=CC=CC=C3OC)C4=CC=CC=C4

Molecular Processing

Molecular formula
C24H27NO3
Molecular weight
377.48
Exact mass
377.1991
XLogP
3.63
TPSA
46.61
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
28
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
3
Undefined stereo
3
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.417
Molar refractivity
108.29

Supplementary Information

InChIKey: SUGFBEHLLNPMDR-UHFFFAOYSA-N
동의어
SCHEMBL8873856SUGFBEHLLNPMDR-UHFFFAOYSA-N(3aRS,7SR,7aRS)-7-methyl-7-phenyl-2-[(2-methoxyphenyl)acetyl]-4-perhydroisoindolone(3aRS,7SR,7aRS)-7-methyl-7-phenyl-2-[(2methoxyphenyl)acetyl]-4-perhydroisoindolone
출처 보기 →
4개 반응에 참여→

확장 검색

부분 구조 검색→유사 구조 검색→