이름: [2-(4-chlorophenyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-(3-methyl-4-propan-2-yloxyphenyl)methanone
SMILES:
CC1=C(C=CC(=C1)C(=O)N2CCC3(CC2)CNCC(O3)C4=CC=C(C=C4)Cl)OC(C)CMolecular Processing
Molecular formula
C25H31ClN2O3
Molecular weight
442.99
Exact mass
442.2023
XLogP
4.77
TPSA
50.8
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
31
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.48
Molar refractivity
122.96
Supplementary Information
InChIKey: ALWCQZDKQADIHJ-UHFFFAOYSA-N
동의어
SCHEMBL13277407ALWCQZDKQADIHJ-UHFFFAOYSA-N[10-(4-chlorophenyl)-11-oxa-3,8-diazaspiro[5.5]undecan-3-yl]-(4-isopropoxy-3-methyl-phenyl)methanone
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