CC(=O)OCCN1CCCCN2C(=C3CCN(C(=O)C3=C(C2=O)O)CC4=CC(=C(C=C4)F)Cl)C1=O
이름: 2-[5-[(3-chloro-4-fluorophenyl)methyl]-8-hydroxy-6,9,16-trioxo-5,10,15-triazatricyclo[8.6.0.02,7]hexadeca-1,7-dien-15-yl]ethyl acetate
SMILES: CC(=O)OCCN1CCCCN2C(=C3CCN(C(=O)C3=C(C2=O)O)CC4=CC(=C(C=C4)F)Cl)C1=O

Molecular Processing

Molecular formula
C24H25ClFN3O6
Molecular weight
505.93
Exact mass
505.1416
XLogP
2.34
TPSA
109.15
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
35
Rings
4
Aromatic rings
2
Saturated rings
0
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.417
Molar refractivity
123.99

Supplementary Information

InChIKey: DFDCPKDKZDRWBN-UHFFFAOYSA-N
동의어
SCHEMBL1337221DFDCPKDKZDRWBN-UHFFFAOYSA-N11-(3-chloro-4-fluorobenzyl)-9-hydroxy-2-[2-(acetyloxy)ethyl]-3,4,5,6,12,13-hexahydro-2h [1,4]diazocino[2,1-a]-2,6-naphthyridine-1,8,10(11h)-trione11-(3-chloro-4-fluorobenzyl)-9-hydroxy-2-[2-(acetyloxy)ethyl]-3,4,5,6,12,13-hexahydro-2h[1,4]diazocino[2,1-a]-2,6-naphthyridine-1,8,10(11h)-trione
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