CC1=CC=C(C=C1)C2=CC3=C(CCCC(=C3)C(=O)NC4=CC=C(C=C4)CN5CCCCC5)C=C2
이름: 3-(4-methylphenyl)-N-[4-(piperidin-1-ylmethyl)phenyl]-8,9-dihydro-7H-benzo[7]annulene-6-carboxamide
SMILES: CC1=CC=C(C=C1)C2=CC3=C(CCCC(=C3)C(=O)NC4=CC=C(C=C4)CN5CCCCC5)C=C2

Molecular Processing

Molecular formula
C31H34N2O
Molecular weight
450.63
Exact mass
450.2671
XLogP
7.01
TPSA
32.34
H-bond donors
1
H-bond acceptors
2
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
3
Covalent units
1
Fraction Csp3
0.323
Molar refractivity
141.73

Supplementary Information

InChIKey: WNKGYVFJTSZVKT-UHFFFAOYSA-N
동의어
SCHEMBL5208454WNKGYVFJTSZVKT-UHFFFAOYSA-NN-[4-(1-piperidylmethyl)phenyl]-3-(p-tolyl)-8,9-dihydro-7H-benzo[7]annulene-6-carboxamide2-(4-methylphenyl)-N-(4-piperidinomethylphenyl)-6,7-dihydro-5H-benzocycloheptene-8-carboxamide5H-Benzocycloheptene-8-carboxamide, 6,7-dihydro-2-(4-methylphenyl)-N-[4-(1-piperidinylmethyl)phenyl]-
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