CC1=CC=CC=C1C(=O)NC2=CC(=C(C=C2)C(=O)N3CCCC(C4=C3C=CC(=C4)Cl)O)OC
이름: N-[4-(7-chloro-5-hydroxy-2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl)-3-methoxyphenyl]-2-methylbenzamide
SMILES: CC1=CC=CC=C1C(=O)NC2=CC(=C(C=C2)C(=O)N3CCCC(C4=C3C=CC(=C4)Cl)O)OC

Molecular Processing

Molecular formula
C26H25ClN2O4
Molecular weight
464.95
Exact mass
464.1503
XLogP
5.38
TPSA
78.87
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
33
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.231
Molar refractivity
129.45

Supplementary Information

InChIKey: ZATPFKWGNKFRHK-UHFFFAOYSA-N
동의어
benzazepine derivative, 33SCHEMBL4684271BDBM35724ZATPFKWGNKFRHK-UHFFFAOYSA-N5-Hydroxy-7-chloro-1-[2-methoxy-4-(2-methylbenzoylamino)benzoyl]-2,3,4,5-tetrahydro-1H-benzazepine5-hydroxy-7-chloro-1-[2-methoxy-4-(2methylbenzoylamino)-benzoyl]-2,3,4,5-tetrahydro-1H-benzoazepine5-hydroxy-7-chloro-1-[2-methoxy-4-(2methylbenzoylamino)benzoyl]-2,3,4,5-tetrahydro-1H-benzoazepine
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