N-{[3-(aminomethyl)oxetan-3-yl]methyl}-6-chloro-2-(1,1-dioxido-2,3-dihydro-1,4-benzothiazepin-4(5H)-yl)quinazolin-4-amine

HCID 71255174
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Basic information

Standard SMILES
NCC1(CNc2nc(N3CCS(=O)(=O)c4ccccc4C3)nc3ccc(Cl)cc23)COC1
InChIKey
MZUCWCAJQQGKFE-UHFFFAOYSA-N
Molecular formula
C22H24ClN5O3S
Average molar mass
474 g/mol

Names & identifiers

Preferred name
N-{[3-(aminomethyl)oxetan-3-yl]methyl}-6-chloro-2-(1,1-dioxido-2,3-dihydro-1,4-benzothiazepin-4(5H)-yl)quinazolin-4-amine
IUPAC
N-[[3-(aminomethyl)oxetan-3-yl]methyl]-6-chloro-2-(1,1-dioxo-3,5-dihydro-2H-1λ6,4-benzothiazepin-4-yl)quinazolin-4-amine

Names & synonyms

SCHEMBL14691866MZUCWCAJQQGKFE-UHFFFAOYSA-NN-{[3-(aminomethyl)oxetan-3-yl]methyl}-6-chloro-2-(1,1-dioxido-2,3-dihydro-1,4-benzothiazepin-4(5H)-yl)quinazolin-4-amine

Database identifiers

PubChem CID
71255174

Properties

Computed structural properties

XLogP
2.8
Topological polar surface area
119 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
8
Rotatable bonds
5
Heavy atoms
32

Related reactions

1 records
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Compound notes

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