(S)-7-(2-hydroxyethyl)-9-neopentyl-6,7,9,10-tetrahydroazepino[3,4-e]indazol-8(3H)-one

HCID 59731990
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Basic information

Standard SMILES
CC(C)(C)CN1Cc2c(ccc3[nH]ncc23)C[C@@H](CCO)C1=O
InChIKey
DVJPIPGZNPEWIX-CYBMUJFWSA-N
Molecular formula
C18H25N3O2
Average molar mass
315.4 g/mol
Monoisotopic mass
315.19467705

Names & identifiers

Preferred name
(S)-7-(2-hydroxyethyl)-9-neopentyl-6,7,9,10-tetrahydroazepino[3,4-e]indazol-8(3H)-one
IUPAC
(7S)-9-(2,2-dimethylpropyl)-7-(2-hydroxyethyl)-3,6,7,10-tetrahydropyrazolo[5,4-i][2]benzazepin-8-one

Names & synonyms

SCHEMBL2212993DVJPIPGZNPEWIX-CYBMUJFWSA-N(S)-7-(2-hydroxyethyl)-9-neopentyl-6,7,9,10-tetrahydroazepino[3,4-e]indazol-8(3H)-one

Database identifiers

PubChem CID
59731990

Properties

Computed structural properties

XLogP
2.2
Topological polar surface area
69.2 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
3
Rotatable bonds
4
Heavy atoms
23

Related reactions

9 records
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Compound notes

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