C1CN(CCC12C(=O)NCN2C3=CC=CC=C3)CCCCl
Name: 8-(3-chloropropyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
SMILES: C1CN(CCC12C(=O)NCN2C3=CC=CC=C3)CCCCl

Molecular Processing

Molecular formula
C16H22ClN3O
Molecular weight
307.83
Exact mass
307.1451
XLogP
2.04
TPSA
35.58
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
21
Rings
3
Aromatic rings
1
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.562
Molar refractivity
85.67

Supplementary Information

InChIKey: BIOIZAPSMDLJIQ-UHFFFAOYSA-N
Synonyme
SCHEMBL11669922BIOIZAPSMDLJIQ-UHFFFAOYSA-N8-(3-chloropropyl)-1-phenyl-4-oxo-1,3,8-triazaspiro[4,5]decane
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