Bmy 14786

HCID 196355

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Basic information

CAS: 99931-58-5
Standard SMILES: Cl.O=C(CCCN1CCN(c2ncc(F)cn2)CC1)c1ccc(F)cc1
InChIKey: LTVFXGPMWFISAZ-UHFFFAOYSA-N
Molecular formula: C18H21ClF2N4O
Average molar mass: 382.8 g/mol
Monoisotopic mass: 382.1371953

Overview

the ketone metabolite of BMY 14802

Names & identifiers

Preferred name: Bmy 14786
IUPAC: 1-(4-fluorophenyl)-4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]butan-1-one;hydrochloride

Names & synonyms

Bmy-14786Bmy 1478699931-58-5DTXSID902443501-Butanone, 1-(4-fluorophenyl)-4-(4-(5-fluoro-2-pyrimidinyl)-1-piperazinyl)-, monohydrochlorideRefChem:120789DTXCID90166841alpha(4-Fluorophenyl)-4-(5-fluoro-2-pyrimidinyl)-1-piperazine-butanone hydrochloride1-(4-fluorophenyl)-4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]butan-1-one;hydrochlorideSCHEMBL9766015AKOS0407508801-(4-Fluorophenyl)-4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]butan-1-one--hydrogen chloride (1/1)

Database identifiers

CAS: 99931-58-5
PubChem CID: 196355
DTXSID: DTXSID90244350

Properties

Computed structural properties

Topological polar surface area: 49.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 7
Rotatable bonds: 6
Heavy atoms: 26
Formal charge: 0
Complexity: 415

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Compound notes

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