HIT ID: HIT212717764
Cas No: 946846-83-9
分子式: C17H16N2O4
分子量: 312.325
常用名: Piromelatine
氢键受体数 (HBA): 4
氢键供体数 (HBD): 2
LogP: 1.5897646
IUPAC: N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-4-oxo-4H-pyran-2-carboxamide
IUPAC: N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-4-oxo-4H-pyran-2-carboxamide
SMILES: COc1ccc2[nH]cc(CCNC(=O)c3cc(=O)cco3)c2c1
SMILES: COc1ccc2[nH]cc(CCNC(=O)c3cc(=O)cco3)c2c1
InChI key: PNTNBIHOAPJYDB-UHFFFAOYSA-N