1-tert-Butyl-3-((S)-2-{4-[(4aS,8aR)-4-(3,4-dimethoxy-phenyl)-1-oxo-4a,5,8,8a-tetrahydro-1H-phthalazin-2-yl]-piperidin-1-yl}-1-methyl-2-oxo-ethyl)-urea

HCID 69798693
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Basic information

Standard SMILES
COc1ccc(C2=NN(C3CCN(C(=O)[C@H](C)NC(=O)NC(C)(C)C)CC3)C(=O)[C@@H]3CC=CC[C@H]23)cc1OC
InChIKey
BMMFSJQYCDDRBJ-YUXAGFNASA-N
Molecular formula
C29H41N5O5
Average molar mass
539.7 g/mol

Names & identifiers

Preferred name
1-tert-Butyl-3-((S)-2-{4-[(4aS,8aR)-4-(3,4-dimethoxy-phenyl)-1-oxo-4a,5,8,8a-tetrahydro-1H-phthalazin-2-yl]-piperidin-1-yl}-1-methyl-2-oxo-ethyl)-urea
IUPAC
1-[(2S)-1-[4-[(4aS,8aR)-4-(3,4-dimethoxyphenyl)-1-oxo-4a,5,8,8a-tetrahydrophthalazin-2-yl]piperidin-1-yl]-1-oxopropan-2-yl]-3-tert-butylurea

Names & synonyms

SCHEMBL6489896BMMFSJQYCDDRBJ-YUXAGFNASA-N1-tert-Butyl-3-((S)-2-{4-[(4aS,8aR)-4-(3,4-dimethoxy-phenyl)-1-oxo-4a,5,8,8a-tetrahydro-1H-phthalazin-2-yl]-piperidin-1-yl}-1-methyl-2-oxo-ethyl)-urea

Database identifiers

PubChem CID
69798693

Properties

Computed structural properties

XLogP
2.9
Topological polar surface area
113 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
6
Rotatable bonds
7
Heavy atoms
39

Related reactions

1 records
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Compound notes

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