(3-{[3-(2-Chloro-pyrimidin-4-yl)-benzyl]-methanesulfonyl-amino}-propyl)-carbamic acid tert-butyl ester

HCID 86603242
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Basic information

Standard SMILES
CC(C)(C)OC(=O)NCCCN(Cc1cccc(-c2ccnc(Cl)n2)c1)S(C)(=O)=O
InChIKey
MIAPUTOPBFNXGX-UHFFFAOYSA-N
Molecular formula
C20H27ClN4O4S
Average molar mass
455 g/mol

Names & identifiers

Preferred name
(3-{[3-(2-Chloro-pyrimidin-4-yl)-benzyl]-methanesulfonyl-amino}-propyl)-carbamic acid tert-butyl ester
IUPAC
tert-butyl N-[3-[[3-(2-chloropyrimidin-4-yl)phenyl]methyl-methylsulfonylamino]propyl]carbamate

Names & synonyms

SCHEMBL1468196MIAPUTOPBFNXGX-UHFFFAOYSA-N(3-{[3-(2-Chloro-pyrimidin-4-yl)-benzyl]-methanesulfonyl-amino}-propyl)-carbamic acid tert-butyl ester

Database identifiers

PubChem CID
86603242

Properties

Computed structural properties

XLogP
3
Topological polar surface area
110 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
7
Rotatable bonds
10
Heavy atoms
30

Related reactions

65 records
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Linked notes

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