C1CNC(=O)N(C1)N2CCN(CC2)C(=O)C(CS(=O)(=O)C3=CC4=C(C=C3)C=C(C=C4)Cl)O
Name: 1-[4-[(2S)-3-(6-chloronaphthalen-2-yl)sulfonyl-2-hydroxypropanoyl]piperazin-1-yl]-1,3-diazinan-2-one
SMILES: C1CNC(=O)N(C1)N2CCN(CC2)C(=O)C(CS(=O)(=O)C3=CC4=C(C=C3)C=C(C=C4)Cl)O

Molecular Processing

Molecular formula
C21H25ClN4O5S
Molecular weight
480.97
Exact mass
480.1234
XLogP
1.1
TPSA
110.26
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
32
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.429
Molar refractivity
119.89

Supplementary Information

InChIKey: MPARUNUPLMAFHO-LJQANCHMSA-N
Synonyme
SCHEMBL1157450MPARUNUPLMAFHO-LJQANCHMSA-N1-(4-{(2S)-3-[(6-Chloronaphthalen-2-yl)sulfonyl]-2-hydroxypropanoyl}piperazin-1-yl)tetrahydropyrimidin-2(1H)-one
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