(6S)-allyl-(4-oxo-6-phenylcarbamoyl-4,6,7,8-tetrahydro-pyrrolo[1,2-a]pyrimidin-3-yl)-carbamic Acid Benzyl Ester

HCID 69600602
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Basic information

Standard SMILES
C=CCN(C(=O)OCc1ccccc1)c1cnc2n(c1=O)[C@H](C(=O)Nc1ccccc1)CC2
InChIKey
AYXRGFFABHVMCP-FQEVSTJZSA-N
Molecular formula
C25H24N4O4
Average molar mass
444.5 g/mol

Names & identifiers

Preferred name
(6S)-allyl-(4-oxo-6-phenylcarbamoyl-4,6,7,8-tetrahydro-pyrrolo[1,2-a]pyrimidin-3-yl)-carbamic Acid Benzyl Ester
IUPAC
benzyl N-[(6S)-4-oxo-6-(phenylcarbamoyl)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-3-yl]-N-prop-2-enylcarbamate

Names & synonyms

SCHEMBL5901629AYXRGFFABHVMCP-FQEVSTJZSA-N(6S)-allyl-(4-oxo-6-phenylcarbamoyl-4,6,7,8-tetrahydro-pyrrolo[1,2-a]pyrimidin-3-yl)-carbamic Acid Benzyl Ester

Database identifiers

PubChem CID
69600602

Properties

Computed structural properties

XLogP
2.6
Topological polar surface area
91.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
8
Heavy atoms
33

Related reactions

2 records
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Linked notes

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