(S)-11,12,13,13a-tetrahydro-1-(hydroxymethyl)-9H-imidazo[1,5-a]pyrrolo[2,1-c][1,4]benzodiazepin-9-one

HCID 54004960
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Basic information

Standard SMILES
O=C1c2ccccc2-n2cnc(CO)c2[C@@H]2CCCN12
InChIKey
KOFCDPDRWRQCSR-ZDUSSCGKSA-N
Molecular formula
C15H15N3O2
Average molar mass
269.3 g/mol

Names & identifiers

Preferred name
(S)-11,12,13,13a-tetrahydro-1-(hydroxymethyl)-9H-imidazo[1,5-a]pyrrolo[2,1-c][1,4]benzodiazepin-9-one
IUPAC
(7S)-5-(hydroxymethyl)-2,4,11-triazatetracyclo[11.4.0.02,6.07,11]heptadeca-1(17),3,5,13,15-pentaen-12-one

Names & synonyms

SCHEMBL7271206KOFCDPDRWRQCSR-ZDUSSCGKSA-N(S)-11,12,13,13a-tetrahydro-1-(hydroxymethyl)-9H-imidazo[1,5-a]pyrrolo[2,1-c][1,4]benzodiazepin-9-one

Database identifiers

PubChem CID
54004960

Properties

Computed structural properties

XLogP
0.4
Topological polar surface area
58.4 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
1
Heavy atoms
20

Related reactions

19 records
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Linked notes

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