CC1=CC=C(C=C1)C2=CC3=C(C=C2)OCCC(=C3)C(=O)NC4=CC=C(C=C4)CN5CCCCC5
이름: 7-(4-methylphenyl)-N-[4-(piperidin-1-ylmethyl)phenyl]-2,3-dihydro-1-benzoxepine-4-carboxamide
SMILES: CC1=CC=C(C=C1)C2=CC3=C(C=C2)OCCC(=C3)C(=O)NC4=CC=C(C=C4)CN5CCCCC5

Molecular Processing

Molecular formula
C30H32N2O2
Molecular weight
452.6
Exact mass
452.2464
XLogP
6.45
TPSA
41.57
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
5
Heavy atoms
34
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.3
Molar refractivity
138.9

Supplementary Information

InChIKey: WZUYUPYTOVFWGG-UHFFFAOYSA-N
동의어
SCHEMBL5209605WZUYUPYTOVFWGG-UHFFFAOYSA-N7-(4-methylphenyl)-N-(4-(piperidinomethyl)-phenyl)-2,3-dihydro-1-benzoxepine-4-carboxamide7-(4-methylphenyl)-N-(4-(piperidinomethyl)phenyl)-2,3-dihydro-1-benzoxepine-4-carboxamideN-[4-(1-piperidylmethyl)phenyl]-7-(p-tolyl)-2,3-dihydro-1-benzoxepine-4-carboxamide1-Benzoxepin-4-carboxamide, 2,3-dihydro-7-(4-methylphenyl)-N-[4-(1-piperidinylmethyl)phenyl]-
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