N11-Ethyl-N6-methyl-3-pentafluoroethyl-6,11-dihydro-5H-pyrido(2,3-b)(1,5)benzodiazepin-5-one

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Basic information

CAS: 133626-89-8
Standard SMILES: CCN1c2ccccc2N(C)C(=O)c2cc(C(F)(F)C(F)(F)F)cnc21
InChIKey: RPRAZABDWBSLOI-UHFFFAOYSA-N
Molecular formula: C17H14F5N3O
Average molar mass: 371.3 g/mol
Monoisotopic mass: 371.10570289

Names & identifiers

Preferred name: N11-Ethyl-N6-methyl-3-pentafluoroethyl-6,11-dihydro-5H-pyrido(2,3-b)(1,5)benzodiazepin-5-one
IUPAC: 11-ethyl-6-methyl-3-(1,1,2,2,2-pentafluoroethyl)pyrido[3,2-c][1,5]benzodiazepin-5-one

Names & synonyms

133626-89-8N11-Ethyl-N6-methyl-3-pentafluoroethyl-6,11-dihydro-5H-pyrido(2,3-b)(1,5)benzodiazepin-5-oneN11-Ethyl-N6-methyl-3-pentafluoroethyl-6,11-dihydro-5H-pyrido[2,3-b][1,5]benzodiazepin-5-one11-ethyl-6-methyl-3-(1,1,2,2,2-pentafluoroethyl)pyrido[3,2-c][1,5]benzodiazepin-5-oneCHEMBL304965DTXSID6015823311-Ethyl-6-methyl-3-(pentafluoroethyl)-6,11-dihydro-5H-pyrido[2,3-b][1,5]benzodiazepin-5-one

Database identifiers

CAS: 133626-89-8
PubChem CID: 453300
DTXSID: DTXSID60158233
ChEMBL: CHEMBL304965
Nikkaji: J420.567G

Properties

Computed structural properties

XLogP: 3.9
Topological polar surface area: 36.4 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 8
Rotatable bonds: 2
Heavy atoms: 26
Formal charge: 0
Complexity: 541

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Compound notes

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